研究論文リスト

高塚　和夫

（2019年5月01日現在）

1. Localized Molecular Orbital Studies of Chemical Reactions. Deformation, Rearrangement,

and Spin Polarization of Bond Involved in Radical Reactions.

S. Nagase, K. Takatsuka, and T. Fueno

J. Amer. Chem. Soc. 98, 3838-3844 (1976).

2. The Spin-Optimized SCF General Spin Orbitals. Theoretical Formulation.

K. Takatsuka, S. Nagase, K. Yamaguchi, and T. Fueno

J. Chem. Phys. 67, 2527-2535 (1977).

3. The Spin-Optimized SCF General Spin Orbitals II. The 22S and 22P States of Lithium Atom.

K. Takatsuka and T. Fueno

J. Chem. Phys. 69, 661-669 (1978).

4. Distribution of Odd Electrons in Ground-State Molecules.

K. Takatsuka, K. Yamaguchi, and T. Fueno

Theoret. Chim. Acta 48, 175-183 (1978).

5. Extended Hartree-Fock (EHF) Theory in Chemical Reactions. II. Properties of the EHF Wavefunctions Constructed by Magnetically Ordered General Spin Orbitals.

K. Yamaguchi, Y. Yoshioka, K. Takatsuka, and T. Fueno

Theoret. Chim. Acta 48, 185-206 (1978).

6. Optimized Kohn Method for Scattering. I. Single-Channel Scattering.

K. Takatsuka and T. Fueno

Phys. Rev. A19, 1011-1017 (1979).

7. Optimized Kohn Method for Scattering. II. Multi-Channel Scattering.

K. Takatsuka and T. Fueno

Phys. Rev. A19, 1018-1022 (1979).

8. Expansion Approach to Photodissociation Dynamics. I. Theory.

K. Takatsuka and M.S. Gordon

J. Chem. Phys. 74, 5718-5723 (1981).

9. Expansion Approach to Photodissociation Dynamics. II. Correction Formula for Linewidth and Numerical Examination for HCN.

K. Takatsuka and M.S. Gordon

J. Chem. Phys. 74, 5724-5732 (1981).

10. Expansion Approach to Photodissociation Dynamics. Effect of Anharmonicity.

K. Takatsuka and M.S. Gordon

Chem. Phys. Lett. 78, 328-332 (1981).

11. Scwinger Variational Principle for Multichannel Scattering.

K. Takatsuka and V. McKoy

Phys. Rev. Lett. 45, 1396-1399 (1980).

12. Variational Scattering Theory Using a Functional of Fractional Form. I. General Theory.

K. Takatsuka and V. McKoy

Phys. Rev. A23, 2352-2358 (1981).

13. Variational Scattering Theory Using a Functional of Fractional Form. II.

An L2-Approach.

K. Takatsuka and V. McKoy

Phys. Rev. A23, 2359-2364 (1981).

14. Relationship between the Schwinger and Kohn-Type Variational Principles in Scattering Theory.

K. Takatsuka, R. Lucchese, and V. McKoy

Phys. Rev. A24, 1812-1816 (1981).

15. Extension of the Schwinger Variational Principle Beyond the Static-Exchange Approximation.

K. Takatsuka and V. McKoy

Phys. Rev. A24, 2473-2480 (1981).

16. Application of a New Variational Functional for Electron-Molecule Collisions:

An Extension of the Schwinger Variational Principle.

Lee Mu-Tao, K. Takatsuka, and V. McKoy

J. Phys. B 14, 4115-4123 (1981).

17. The Schwinger Variational Principle: An Approach to Electron-Molecule Collisions.

R. Lucchese, K. Takatsuka, D. Watson, and V. McKoy

"Electron-Atom and Electron-Molecule Collisions," page 29-49 (Plenum, New York, 1983).

18.Theory of Electronically Inelastic Scattering of Electrons by Molecules.

K. Takatsuka and V. McKoy

"Electron-Molecule and Photo-Ionization Processes," page 199-202 (Verlag Chemie International, Florida, 1983).

19. Theory of Electronically Inelastic Scattering of Electrons by Molecules.

K. Takatsuka and V. McKoy

Phys. Rev. A30, 1734-1740 (1984).

20. Multichannel Schwinger Variational Cross Sections for Electron-Impact Excitation of the 　 State in H2.

M. Lima, T. Gibson, K. Takatsuka, and V. McKoy

Phys. Rev. A30, 1741-1746 (1984).

21. Ab Initio Inclusion of Polarization Effect in the Schwinger Multichannel Formulation: Application to e-H₂ Scattering.

T. Gibson, M. Lima, K. Takatsuka, and V. McKoy

Phys. Rev. A30, 3005-3011 (1984).

22. Scattering Formulation Based on an Amplitude-Independent Variational Principle.

K. Takatsuka and V. McKoy

Phys. Rev. A30, 2799-2801 (1984).

23. Calculation of the Potential Energy Curves for Low-Lying Doublet and Quartet States of CN Radicals.

H. Ito, H. Ozaki, T. Nagata, T. Kondow, K. Kuchitsu, K. Takatsuka, H. Nakamura, and Y. Osamura

Chem. Phys. 98, 81-87 (1985).

24. A Semiclassical Theory in Phase Space for Molecular Processes: Formalism Based on Dynamical Characteristic Function.

K. Takatsuka and H. Nakamura

J. Chem. Phys. 82, 2573-2589 (1985).

25. Semiclassical Theory in Phase Space for Molecular Processes: Scattering Matrix as a Special Case of Phase Space Distribution Function.

K. Takatsuka and H. Nakamura

J. Chem. Phys. 83, 3491-3499 (1985).

26. Semiclassical Theory in Phase Space for Molecular Processes. III.

Electronically Nonadiabatic Transitions in Multi-Dimensional Systems.

K. Takatsuka and H. Nakamura

J. Chem. Phys. 85, 5779-5790 (1986).

27. Application of the Schwinger Variational Principle to Electron-Molecule Collisions and Molecular Photoionization.

R. R. Lucchese, K. Takatsuka, and V. McKoy

Phys. Reports 131, 147-221 (1986).

28. Phase-Space Path Integrals in terms of a Phase-Space Distribution Function.

K. Takatsuka

Phys. Rev. Lett. 61, 503-506 (1988).

29. Phase-Space Representation of Quantum Mechanics and its Relation to Phase-Space Path Integrals.

K. Takatsuka

Phys. Rev. A39, 5961-5973 (1989).

30. Periodic Orbit Theory in Phase-Space Semiclassical Mechanics.

K. Takatsuka

Quantum Chaos, page 253-266 (World Scientific, Singapore, 1991).

31. Extraction of Accurate Frequencies from the Fast-Fourier-Transform Spectra.

K. Takatsuka

J. Compt. Phys. 102, 374-380 (1992).

32. Dynamics and Quantization of Hamiltonian Chaos. Density of States in Phase-Space Semiclassical Mechanics.

K. Takatsuka

Phys. Rev. A45, 4326-4339 (1992).

33. Concept of Phase-Space Large Amplitude Motion. A Classical Study.

K. Takatsuka

Chem. Phys. Letters 204, 491-495 (1993).

34. Quasi-Action Variables for Chaos in Chemical Dynamics.

K. Takatsuka

Bull. Chem. Soc. Japan 66, 3189-3202 (1993).

35. A Quantization Condition and Energy Shift for Weak Chaos.

K. Takatsuka

Prog. Theoret. Phys., 91, 421-435 (1994).

36. Dynamical Tunneling in a Weakly Chaotic System.

H. Ushiyama and K. Takatsuka

Proceedings of International Conference on Dynamical Systems and Chaos (1994) Vol.2, 481-484 (refereed).

37. Tunneling Solutions of Hamilton-Jacobi Equation for Multi-dimensional Semiclassical Theory.

K. Takatsuka and H. Ushiyama

Phys. Rev. A51, 4353-4364 (1995).

38. Nonlinear Dynamics in Coupled Fuzzy Control Systems. I. Coherence and Chaos -Frustration in Triangle Configuration.

K. Takatsuka

Physica D 82, 95-116 (1995).

39. Expected Significance of Weakly Chaotic Vibrational Motions in Single Molecule

Spectroscopy.

N. Hashimoto and K. Takatsuka

J. Chem. Phys., 103, 6914-6929 (1995).

40. A Novel method to Calculate Eigenfunctions and Eigenvalues in a Given Energy Range.

K. Takatsuka and N. Hashimoto

J. Chem. Phys., 103, 6057-6067 (1995).

41. Rhythmic Hopping in One-Dimensional Crisis Map.

C. Seko and K. Takatsuka

Phys. Rev. E54, 956-959. (1996).

42. Statistical Redistribution of Trajectories from a Torus to Tori by Chaotic Dynamical-Tunneling

H. Ushiyama and K. Takatsuka

Phys. Rev. E53, 115 -123 (1996).

43. Non-Ergodicity and Two Sub-Phases in the Coexistence Region in Isomerization Dynamics of Ar7-like Molecules.

C. Seko and K. Takatsuka

J. Chem. Phys. 104, 8613-8626 (1996).

44. A Scrutiny of the Premise of the Rice-Ramsberger-Kassel-Marcus Theory in Isomerization Reaction of an Ar7-type Molecule.

Kazuo Takatsuka and Chihiro Seko

J. Chem. Phys. 105, 10356-10366 (1996).

45. Stationary-State Scattering Theory for Dissociative Photo-detachment on Non- Adiabatically Coupled Potential Surfaces as a Probe of Transition States.

K. Takatsuka

Phys. Rev. A55, 347-360 (1997).

46. Global Representation of Maslov-type Semiclassical Wavefunction and Its Spectrum in a Small Number of Classical Trajectories.

K. Takatsuka and A. Inoue

Phys. Rev. Lett. 78, 1404-1407 (1997).

47. Semiclassical Study on Multidimensional Effects in Tunneling Chemical Reactioins. Tunneling Paths and Tunneling Tubes.

H. Ushiyama and K. Takatsuka,

J. Chem. Phys. 106, 7023-7035 (1997).

48. Strange Attractors of Infinitesimal Widths in the Bifurcation Diagram with an Unusual Mechanism of Onset. Nonlinear Dynamics in Coupled Fuzzy Control Systems. II.

Y. Tomonaga and K. Takatsuka,

Physica D, 111, 51-80 (1998).

49. Quantum Localization and Dynamical Tunneling of Quasi-separatrix Wavefunctions for Molecular Vibration.

N. Hashimoto and K.Takatsuka,

J. Chem. Phys. 108, 1893-1903 (1998).

50. Nonequlibrium Intramolecular Transport in Isomerization Dynamics of Ar7-like Molecules in Liquid-like Phase.

C. Seko and K. Takatsuka,

J. Chem. Phys. 108, 4924-4934 (1998).

51. Origin of the Complex Dynamics in Structural Isomerization of Small Clusters: The Effects of Potential Topography.

C. Seko and K. Takatsuka,

J. Chem. Phys. 109, 4768-4781 (1998).

52. Quasi-semiclassical Approach to Tunneling Chemical Reactions.

H. Ushiyama and K. Takatsuka,

J. Chem. Phys. 109, 9664-9673 (1998).

53. Communication: Concept of Inter-basin Mixing and Extension of the Liapunov Exponen in Multiple Potential-basin Dynamics as Structural Isomerization of Clusters.

K. Takatsuka and C. Seko,

J. Chem. Phys. 110 , 3263-3266 (1999).

54. Semiclassical Theory for Maslov-type Wave Packet. Hierarchy below the Semiclassical Feynman Kernel.

A. Inoue-Ushiyama and K. Takatsuka,

Phys. Rev. A59, 3256-3269 (1999).

55. Scattering Theory for Photodetachment and Molecular Dissociation as a Direct Probe of

Transition State.

Kazuo Takatsuka

in "Transition State" (Ed. T. Fueno, Gordon & Breach, 1999, page 297-319).

56. Roles of Phase Cancellation Removing Spuriously Quantized States in Semiclassical Mechanics.

A. Inoue-Ushiyama and K. Takatsuka,

Phys. Rev. A60, 112-120 (1999).

57. Tunneling Paths in Multi-dimensional Semiclassical Dynamics.

K. Takatsuka, H. Ushiyama, and A. Inoue-Ushiyama,

Phys. Reports, 322, 347-417 (1999) (invited and refereed).

58. Femtosecond Energy- and Angle-Resolved Photoelectron Spectra.

Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy

Chem. Phys. Lett., 302, 363-374 (1999).

59. Time Scale of Isomerization Reactions and Isotropic Inflation Model of Basin Boundaries in Cluster Dynamics.

T. Yanao and K. Takatsuka,

Chem. Phys. Lett. 313, 633-638 (1999).

60. Probing Wavepacket Dynamics with Femtosecond Energy- and Angle-Resolved Photoelectron Spectroscopy.

Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy

J. Electr. Spec. Rel. Phenom. 108, 89-98 (2000).

61. Femtosecond Energy- and Angle-resolved Photoelectron Spectroscopy.

Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy

J. Chem. Phys. 112, 8871-8884 (2000).

62. Microcanonical Temperature and Its Arrhenius Relation to Lifetimes in Isomerization

Dynamics of Clusters.

K. Takatsuka and T. Yanao.

J. Chem. Phys. 113, 2552-2562 (2000).

63. Probing Wavepacket Dynamics with Femtosecond Energy- and Angle-Resolved Photoelectron Spectroscopy.

K.Takatsuka, Y. Arasaki, K. Wang, and V. McKoy.

Faraday Discussion, Introductory Lecture, 115, 1-15 (2000).

64. Highly Excited Vibrational Eigenfunctions in a Multimode Nonadiabatic System with Duschinsky Roataion.

H. Fujisaki and K. Takatsuka,

J. Chem. Phys. 114, 3497-3507 (2001).

65. Variational Statistical Theory for Microcanonical Ensemble and the Linear Surprisal in Chemical Reaction Dynamics.

K. Takatsuka

Chem. Phys. Lett. 345, 453-460 (2001).

66. Efficient Calculations of Classical Trajectories and Stability Matrices for Semiclassical Theory with Locally Analytic Inegrator. The Hulme Method Revisited.

H. Ushiyama, Y. Arasaki, and K. Takatsuka,

Chem. Phys. Lett. 346, 169-176 (2001).

67. Energy- and Angle-Resolved Pump-Probe Femtosecond Photoelectron Spectroscopy: Molecular Rotation.

Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy,

J. Chem. Phys. 114, 7941-7950 (2001).

68. Chaos Induced by Quantum Effect Due to Breakdown of the Born-Oppenheimer Nonadiabaticity.

H. Fujisaki and K. Takatsuka,

Phys. Rev. E. 63, 066221 (10 pages) (2001).

69. An Amplitude-free Correlation Function Based on an Algebra for Coordinate Transformation in Semiclassical Integrals.

K. Takatsuka,

Phys. Rev. E. 64, 016224 (8 pages) (2001).

70. Semiclassical Quantization of Strongly Chaotic Vibrations in M7-like cluster.

Inoue-Ushiyama and K. Takatsuka,

Phys. Rev. E. 64, 056223 (15 pages) (2001).

71. Successive mechanism of double proton transfer in formic acid dimer. A classical study.

H. Ushiyama and K. Takatsuka,

J. Chem. Phys. 115, 5903 - 5912 (2001).

72. Quantum chaos induced by nonadiabatic coupling in wavepacket dynamics.

H. Higuchi and K. Takatsuka

Phys. Rev. E. 66, 035203(R) (4 pages) (2002). (Rapid communications)

73. Semiclassical quantization of chaos in terms of an amplitude-free quasi-correlation function.

K. Hotta and K. Takatsuka

J. Phys. A: Gen. Math. 36, 4785-4803 (2003).

74. Pump-probe photoionization study of the passage and bifurcation of a quantum wave packet across an avoided crossing.

Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy,

Phys. Rev. Lett. 90, 248303 (4 pages) (2003).

75. Collective coordinates and accompanying metric force in structural isomerization dynamics of molecules.

Tomohiro Yanao and Kazuo Takatsuka,

 Phys. Rev. A 68, 032714 (16 pages) (2003).
 
76. Studies of electron transfer in NaI with pump-probe femtosecond photoelectron spectroscopy. 
 Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy
 J. Chem. Phys. 119, 7913-7923 (2003).

77. Kinematic effects associated with molecular frames in structural isomerization dynamics of clusters.

Tomohiro Yanao and Kazuo Takatsuka,

J. Chem. Phys. 120, 8924-8936 (2004).

78. Geometrical evaluation of the Maslov index.

Satoshi Takahashi and Kazuo Takatsuka

Phys. Rev. A 69, 022110 (2004).

79. Time-dependent probability of quantum tunneling in terms of quasi-semiclassical method.

H. Ushiyama and K. Takatsuka,

J. Chem. Phys. 120, 4561-4572 (2004).

80. Coupled-cellular-automata study on stochastic and pattern-formation dynamics under spatiotemporal fluctuation of temperature.

S. Yaguma, Kenta Odagiri, and K. Takatsuka

Physica D 197, 34-62 (2004).

81. Renormalized semiclassical quantization for rescalable Hamiltonians.

Satoshi Takahashi and Kazuo Takatsuka,

Phys. Rev. A 70, 052103 (10 pages) (2004).

82. Dynamical and statistical effects of the intrinsic curvature of internal space of molecules.

Hiroshi Teramoto and Kazuo Takatsuka

J. Chem. Phys. 122, 074101 (12 pages) (2005).

83. Quantum fluctuation of electronic wave-packet dynamics coupled with classical nuclear motions.

Michiko Amano and Kazuo Takatsuka,

J. Chem. Phys. 122, 084113 (13 pages) (2005).

84. Methyl group rotation driven by proton transfer through a long-range chemical interaction

Hiroshi Ushiyama and Kazuo Takatsuka

Angew. Chem. Intl. Ed. 44, 1237-1240, (2005).

85. Temperature, geometry, and variational statistical strucure in microcanonical ensemble for structural isomerization dynamics of clusters: A multichannel chemical reaction beyond the transition-state concept.

Kazuo Takatsuka

Adv. Chem. Phys. 130, 25-85 (2005).

86. Effects of an intrinsic metric of molecular internal space on chemical reaction dynamics.

Tomohiro Yanao and Kazuo Takatsuka,

Adv. Chem. Phys. 130, 87-128 (2005).

87. Dynamical hydrogen atom tunneling in dichlorotropolone: A combined quantum, semiclassical, and classical study.

K. Giese, H. Ushiyama, K. Takatsuka, and O. Kuehn

J. Chem. Phys. 122, 124307 (14 pages) (2005).

87. Real-time observation of ground state proton transfer: A model study.

Yasuki Arasaki, Kentaro Yamazaki, Marcio Varella, and Kazuo Takatsuka,

Chemical Physics, 311, 255-268 (2005).

89. Symmetry adapted correlation function for semiclassical quantization,

Koji Hotta and Kazuo Takatsuka

J. Chem. Phys. 122, 174108 (10 pages) (2005).

90. Extended quantization condition for constructive and destructive interferences and trajectories dominating molecular vibrational eigenstates

Hiroshi Ushiyama and Kazuo Takatsuka,

J. Chem. Phys. 122, 224112 (13 pages) (2005).

91. Communication: Dynamic charge fluctuation of endohedral fullerene with coencapsulated Be atom and H₂.

Yasuteru Shigeta and Kazuo Takatsuka,

J. Chem Phys. 123, 131101 (4 pages) (2005).

(Selected for the October 17, 2005 issue of Virtual Journal of Nanoscale Science & Technology (AIP))

92. Nonadiabatic chemical dynamics in an intense laser field: Electronic wavepacket coupled with classical nuclear motions.

Kiyoshi Yagi and Kazuo Takatsuka,

J. Chem. Phys. 123, 224103 (10 pages) (2005).

93. Very fast tunneling in the early stage of reaction dynamics.

Hiroshi Ushiyama and Kazuo Takatsuka,

J. Phys. Chem. A 51, 11807-11814 (2005).

94. Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde: Wave-packet dynamics on effective potential surfaces of reduced dimensionality

Marcio T. do N. Varella, Yasuki Arasaki, Hiroshi Ushiyama, Vincent McKoy , and Kazuo Takatsuka

J. Chem. Phys. 124, 154302 (13 pages) (2006).

Selected for the May 2006 issue (vol.5 Issue5) of Virtual Journal of Ultrafast Science (the American Physical Society and the American Institute of Physics)

95. On the validity range of the Born-Oppenheimer approximation: a semiclassical study for all-particle quantization of three-body Coulomb systems.

Satoshi Takahashi and Kazuo Takatsuka,

J. Chem. Phys. 124, 144101 (14 pages) (2006).

Highlighted as an Editors' choice in Science, 312, 659 (2006).

96. Non-Born-Oppenheimer paths in anti-Hermitian dynamics for nonadiabatic transition.

Kazuo Takatsuka

J. Chem. Phys. 124, 064111 (12 pages) (2006).

97. A semiclassical theory for nonseparable rovibrational motions in curved space and its application to energy quantization of nonrigid molecules.

Hiroshi Teramoto and Kazuo Takatsuka, J. Chem. Phys. 125, 194301 (8 pages) (2006).

98. Mechanism of the elementary processes of electron wavepacket dynamics coupled with proton and hydrogen-atom migration in H₂O + H₃O⁺.

Hiroshi Ushiyama and Kazuo Takatsuka

Angew. Chem. Intl. Ed . 46, 587-590 (2007).

99. Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: ab initio study of time-resolved photoelectron spectra.

Marcio T. do N. Varella, Yasuki Arasaki, Hiroshi Ushiyama, Kazuo Takatsuka, Kwanghsi Wang, and Vincent McKoy

J. Chem. Phys, 126, 054303 (13 pages) (2007).

Selected for the March 2007 issue (vol.6 Issue3) for Virtual Journal of Ultrafast Science.

100. Communication: Energy quantization of chaos with the semiclassical phases alone.

Kazuo Takatsuka, Satoshi Takahashi, Yang Wei Koh, and Takefumi Yamashita

J. Chem. Phys. 126, 021104 (4 pages) (2007).

101. Nonempirical statistical theory for atomic evaporation from nonrigid clusters: Applications to the absolute rate constant and kinetic energy release.

Mikiya Fujii and Kazuo Takatsuka

J. Phys. Chem. A 111, 1389-1402 (2007).

102. Hydrogen-bond assisted huge broadening of infrared spectra of phenol-water cationic cluster: An ab initio mixed quantum-classical dynamical study.

Takefumi Yamashita and Kazuo Takatsuka

J. Chem. Phys. 126, 074304 (15 pages) (2007).

Selected for the March 2007 issue (vol.13 Issue5) for Virtual Journal of Biological Physical Research.

103. Local integrals and their globally connected invariant structure in phase space giving rise to a promoting mode of chemical reaction.

Hiroshi Teramoto and Kazuo Takatsuka, J. Chem. Phys. 126, 124110 (11 pages) (2007).

104. Phase quantization of chaos and the role of the semiclassical amplitude factor.

Takefumi Yamashita and Kazuo Takatsuka, Prog. Theoret. Phys. Supplement. 166, 56-69 (2007).

105. Enhancement of non-escape probability in open system due to quantum localization induced by periodic orbits.

Agung Budiyono, Takeshi Kato, Kazuo Takatsuka, and Katsuhiro Nakamura

Phys. Lett. A 367, 331-334 (2007).

106. Quantum wavepacket dynamics for time-resolved photoelectron spectroscopy of the NO₂ conical intersection.

Yasuki Arasaki and Kazuo Takatsuka, Chem. Phys. 338, 175-185 (2007). (Special issue for Joern Manz).

107. Generalization of classical mechanics for nuclear motions nonadiabatically coupled with electron wavepacket dynamics and in quantum-classical mixed representation.

Kazuo Takatsuka, J. Phys. Chem. A, 111, 10196-10204 (2007). (Robert E. Wyatt Festschrift)

108. Phase quantization of chaos in semiclassical regime.

Satoshi Takahashi and Kazuo Takatsuka, J. Chem. Phys. 127, 084112 (13 pages) (2007).

109. Temperature and heat capacity of atomic clusters as estimated in terms of kinetic-energy release of atomic evaporation.

Mikiya Fujii and Kazuo Takatsuka, J. Chem. Phys., 127, 204309 (7 pages) (2007).

110. Finding periodic orbits of higher-dimensional flows by including tangential components of trajectory motion.

Yang Wei Koh and Kazuo Takatsuka, Phys. Rev E, 76, 066205 (13 pages) (2007).

111. Nonempirical statistical theory for molecular evaporation from nonrigid clusters.

Mikiya Fujii and Kazuo Takatsuka, J. Chem. Phys. 128, 114318 (15 pages) (2008).

112. Nonadiabatic electron wavepacket dynamics of molecules in an intense laser field. An ab initio electronic state study.

Takehiro Yonehara and Kazuo Takatsuka, J. Chem. Phys. 128, 154104 (13 pages) (2008).

113. Phase-space averaging and natural branching of nuclear paths for nonadiabatic electron wavepacket dynamics.

Takehiro Yonehara and Kazuo Takatsuka, J. Chem. Phys. 129, 134109 (13 pages) (2008).

(Selected for Virtual Journal of Quantum Information vol.8 Issue 10 (2008).)

(Selected for the February 15, 2009 issue of Virtual Journal of Biological Physics Research)

114. Expanding memory space and reducing spurious states in neural networks by

introducing coherent and collective firing

Yang Wei Koh and Kazuo Takatsuka, Neural Computation, 21, 1-14 (2009).

115. On the mechanism of quantization of classical chaos and quantization conditions.

Kazuo Takatsuka, AIP Conference Proceeding Volume 1076, “Let’s face chaos through nonlinear dynamics” (M. Robnik and V. Romanovski Ed. 2008, Springer) page 235-244 (invited, not reviewed).

116. Threshold effect with stochastic fluctuation in bacteria-colony-like proliferation dynamics as analyzed through a comparative study of reaction-diffusion equations and cellular automata.

Kenta Odagiri and Kazuo Takatsuka, Phys. Rev E, 79, 026202 (10 pages) (2009).

117. Traveling excitable waves successively generated in nonlinear proliferation system.

Kenta Odagiri and Kazuo Takatsuka, Phys. Rev E, 79, 056219 (13 pages) (2009).

118. Toward non-Born-Oppenheimer quantum chemistry.

Kazuo Takatsuka, Intern. J. Quant. Chem. (Hirao issue), 109, 2131-2142 (2009).

119. Nonadiabatic chemical dynamics in intermediate and intense laser fields.

Kazuo Takatsuka and Takehiro Yonehara, Adv. Chem. Phys. 144, 93-156, (2009) (invited and reviewed by the editor).

120. Non-Born-Oppenheimer dynamics for electronic and nuclear wavepacket dynamics.

Takehiro Yonehara, Satoshi Takahashi and Kazuo Takatsuka, J. Chem. Phys. 130, 214113 (2009).

(Selected for the June, 2009 issue of Virtual Journal of Quantum Information, vol. 9, Issue 6.)

(Selected for the July, 2009 issue of Virtual Journal of Ultrafast Science, vol. 8 , Issue 7.)

121. Electron flux in molecules induced by nuclear motions.

Michihiro Okuyama and Kazuo Takatsuka, Chem. Phys. Lett. 476, 109-115 (2009).

122. Characterization of electron-deficient chemical bonding of diborane with attosecond electron wavepacket dynamics and laser response.

Takehiro Yonehara and Kazuo Takatsuka, Chem. Phys. 366, 114-128 (2009). (special issue for molecular attosecond dynamics)

123. Electron-wavepacket reaction dynamics in proton transfer of formamide.

Kengo Nagashima and Kazuo Takatsuka, J. Phys. Chem A, (Aquilanti Festschrift), 113, 15240-15249 (2009). DOI: 10.1021/jp905583s.

124. Communication: Optical conversion of conical intersection to avoided crossing.

Yasuki Arasaki and Kazuo Takatsuka, Phys. Chem. Chem. Phys. (Communication), 12, 1239-1242 (2010).　DOI: 10.1039/B919504A．

125. Time-resolved photoelectron spectroscopy of wavepackets through a conical intersection in NO₂.

 Y. Arasaki, K. Takatsuka, K. Wang, and V. McKoy, J. Chem. Phys. 132, 124307 (10 pages) (2010).
 
126. Non-Born-Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions.
 Takehiro Yonehara and Kazuo Takatsuka, J. Chem. Phys. 132, 244102 (17 pages) (2010).

(Selected for the July, 2010 issue of Virtual Journal of Ultrafast Science, vol. 8 , Issue 7.)

[DOI: 10.1063/1.3439396]

127. Path integrals for nonadiabatically-coupled electrons and nuclei in molecules: Force analysis for branching nuclear paths and conservation laws.

Kota Hanasaki and Kazuo Takatsuka, Phys. Rev. A 81, 052514 (16 pages) (2010).

128. Exploring dynamical electron theory beyond the Born-Oppenheimer framework: From chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field.

 Kazuo Takatsuka and Tahehiro Yonehara, Phys. Chem. Chem. Phys. (Perspective) 13, 4987-5016 (2011). (DOI: 10.1039/C0CP00937G)
 
129. Information of electron dynamics embedded in coupled equations for femtosecond nuclear wavepackets
 Kazuo Takatsuka, in “Quantum Dynamic Imaging” (Springer, A. Bandrauk and M. Ivanov, Ed., 2010, page 191-213).  (invited and reviewed)
 
130. Monitoring the effect of a control pulse on a conical intersection by time-resolved photoelectron spectroscopy.
 Y. Arasaki, K. Wang, and V. McKoy, K. Takatsuka, Phys. Chem. Chem. Phys. 13, 8681-8689 (2011).
 (Phys. Chem. Chem. Phys., DOI:10.1039/C0CP01358G)
 
131. Reply to "Comment: On the Persistence of Conical Intersections under Perturbations"
 Y. Arasaki and K. Takatsuka, Phys. Chem. Chem. Phys. 13, 4756-4758 (2011).
 (Phys. Chem. Chem. Phys., DOI:10.1039/C0CP02302G)

132. A generalization of the coherent state path integrals and systematic derivation of semiclassical propagators.

Shin-ichi Koda and Kazuo Takatsuka, Phys. Rev. A, 83, 032117 (12 pages) (2011).

133. Fundamental approaches to nonadiabaticity: Towards a chemical theory beyond the Born-Oppenheimer paradigm.

Takehiro Yonehara, Kota Hanasaki, Kazuo Takatsuka, Chemical Reviews, 112, 499-542 (2012), invited and reviewed. DOI: 10.1021/cr200096s

134. Controlled dynamics at an avoided crossing Interpreted in Terms of dynamically fluctuating Potential Energy Curves.

Simona Scheit, Yasuki Arasaki, and Kazuo Takatsuka, J. Phys. Chem. A, 116, 2644–2653 (2012). (DOI: 10.1021/jp2071919)

135. Dynamical electron mechanism of double proton transfer in formic acid dimer.

Michihiro Okuyama and Kazuo Takatsuka, BCSJ, 85, 217-227 (2012).

136. Time-resolved high-harmonic spectroscopy of nonadiabatic dynamics in NO₂.

P. M. Kraus, Y. Arasaki, J. B. Bertrand, S. Patchkovskii, P. B. Corkum, D. M. Villeneuve, K. Takatsuka, and H. J. Woerner, Phys. Rev. A, 85, 043409 (5 pages) (2012).

DOI: 10.1103/PhysRevA.85.04340

137. Nuclear and electron dynamics from femto- and subfemto-second time-resolved photoelectron angular distributions.

Yasuki Arasaki, Kwanghsi Wang, Vincent McKoy, and Kazuo Takatsuka, J Phys. B: At. Mol. Opt. Phys. 45, 194006 (11 pages) (2012).

Invited to LabTalk presentation for this paper.

138. Early-stage dynamics in coupled proton-electron transfer from π-π∗ state of phenol to solvent ammonia clusters: An electron dynamics study.

Kengo Nagashima and Kazuo Takatsuka, J. Phys. Chem. A. 116, 11167-11179 (2012). J. Manz Festshrift.)

139. Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: A theory for chemistry where the notion of adiabatic potential energy surface loses the sense.

Takehiro Yonehara and Kazuo Takatsuka, J. Chem. Phys. 137, 22A520 (13 pages), (2012). (SPECIAL TOPIC: NONADIABATIC DYNAMICS)

140. Path-branching representation for nonadiabatic electron dynamics in conical intersection

Takehiro Yonehara and Kazuo Takatsuka, J. Phys. Chem. A 117, 8599-8608 (2013).　(DOI: 10.1021/jp402655)

141. Pulse-Train Photoelectron Spectroscopy of Electronic and Nuclear Dynamics in Molecules

Yasuki Arasaki and Kazuo Takatsuka, ChemPhysChem, 14, 1387-1396 (2013).

(Special Issue: Ultrafast & Theoretical Spectroscopy)

142. Communication: Induced photoemission from nonadiabatic dynamics assisted by dynamical Stark effect

Yasuki Arasaki, Simona Scheit, Kazuo Takatsuka, J. Chem. Phys., 138, 161103 (4 pages) (2013).

143. Unified treatment of field-induced and intrinsic nonadiabatic transitions with a generalized Floquet Hamiltonian method

Kota Hanasaki and Kazuo Takatsuka, Phys. Rev. A, 88, 053426 (14 pages) (2013).

144. Towards many-dimensional real-time quantum theory for heavy-particle dynamics. I. Semiclassics in the Lagrange picture of classical phase flow

Satoshi Takahashi and Kazuo Taktsuka, Phys. Rev. A 89, 012108 (13 pages) (2014).

145. Towards many-dimensional real-time quantum theory for heavy particle dynamics. II. Beyond semiclassics by quantum smoothing of singularity in quantum-classical correspondence.

Kazuo Takatsuka and Satoshi Takahashi, Phys. Rev. A 89, 012109 (12 pages) (2014).

146. Electronic quantum effects mapped onto non-Born-Oppenheimer nuclear paths: Nonclassical surmounting over potential barriers and trapping above the transition states due to nonadiabatic path-branching.

Kentaro Yamamoto and Kazuo Takatsuka, J. Chem. Phys., 140, 124111(13 pages) (2014).

147. Electron wavepacket dynamics of photoionizing states

Kazuo Takatsuka, J. Phys. B, 47, 124038 (6pages) (2014).

(Special Issue: Ultrafast electron and molecular dynamics)

148. Control scheme of nonadiabatic transitions with the dynamical shift of potential curve crossing

S. Scheit, Y. Arasaki, and K. Takatsuka, J. Chem. Phys. 140, 244115 (10 pages) (2014).

149. Induced photoemission from driven nonadiabatic dynamics in an avoided crossing system

Y. Arasaki, Y. Mizuno, S. Scheit, and K. Takatsuka, J. Chem. Phys. 141, 24301 (14 pages) (2014).

150. An Electron Dynamics Mechanism of Charge Separation in the Initial-Stage Dynamics of Photoinduced Water Splitting in X_Mn_Water (X=OH, OCaH) and Electron–Proton Acceptors

Kentaro Yamamoto and Kazuo Takatsuka, ChemPhysChem. 16, 2534-2537 (2015). (Communication)

(DOI: 10.1002/cphc.201500416)

151. Nonadiabatic electron wavepacket study on symmetry breaking dynamics of the low-lying excited states of cyclic-B₄.

Zhong-wei Li, Takehiro Yonehara, and Kazuo Takatsuka, Chem. Phys. 464, 14-25 (2015)

152. Stark-assisted quantum confinement of wavepackets. A coupling of nonadiabatic interaction and CW-laser.

Y. Arasaki, Y. Mizuno, S. Scheit, and K. Takatsuka, J. Chem. Phys. 144, 044107 (10 pages) (2016).

153. Classical and semiclassical dynamics in statistical environments with a mixed dynamical and statistical representation.

K. Takatsuka and K. Matsumoto, PCCP, 18, 1771-1785 (2016).

154. A perturbation theoretic approach to the Riccati equation for the Floquet energies, spectral intensities, and cutoff energy of harmonic generation in photoemission from nonadiabatic electron-transfer dynamics driven by infrared CW laser fields.

Yuta Mizuno, Yasuki Arasaki, and Kazuo Takatsuka, J. Chem. Phys. 144, 024106 (13 pages) (2016).

155. Nonadiabatic electron dynamics in densely quasidegenerate states in highly excited boron cluster.

Takehiro Yonehara and Kazuo Takatsuka, J. Chem. Phys. 144, 164304 (15 pages) (2016).

156. Dynamical mechanism of charge separation by photoexcited generation of proton-electron pairs in organic molecular systems. A nonadiabatic electron wavepacket dynamics study.

Kentaro Yamamoto and Kazuo Takatsuka, Chemical Physics Perspective (invited and reviewed), 475, 39- 53 (2016).

doi: http://dx.doi.org/10.1063/1.4947302

157. Real-time observation of wavepacket bifurcation on nonadiabatically coupled field-dressed potential energy curves by means of spectrogram of induced photon-emission from molecules driven by CW laser.

Yuta Mizuno, Yasuki Arasaki, and Kazuo Takatsuka, J. Chem. Phys. 145, 184305 (11 pages) (2016).

doi: http://dx.doi.org/10.1063/1.4966965

158. Chemical modification of conical intersections in photoisomerization dynamics of butadiene derivatives.

Hiroki Ichikawa and Kazuo Takatsuka, J. Phys. Chem. A, 121, 315-325 (2017).

(Also published in Mark S. Gordon Festschrift (virtual issue))

DOI: 10.1021/acs.jpca.6b10680

159. Photoinduced charge separation catalyzed by Mn-oxides onto a Y-shaped branching acceptor efficiently preventing charge recombination

Kentaro Yamamoto and Kazuo Takatsuka, ChemPhysChem, 18, 1-13 (2017).

DOI: 10.1002/cphc.201601237

160. Lorentz-like force emerging from kinematic interactions between electrons and nuclei in molecules. A quantum mechanical origin of symmetry breaking that can trigger molecular chirality.

Kazuo Takatsuka, J. Chem. Phys. 146, 084312 (10 pages) (2017).

doi: http://dx.doi.org/10.1063/1.4976976

161. Dynamics of photoionization from molecular electronic wavepacket states in intense pulse laser fields: A nonadiabatic electron wavepacket study.

Takahide Matsuoka and Kazuo Takatsuka, J. Chem. Phys. 146,134114 (14 pages) (2017).

doi:10.1063/1.4979672

162. Time-resolved photoelectron signals from bifurcating electron wavepackets propagated across conical intersection in path-branching dynamics.

Yasuki Arasaki and Kazuo Takatsuka, Chem. Phys. 493, 42-48 (2017)

DOI: 10.1016/j.chemphys.2017.06.008

　

163. Theory of molecular nonadiabatic electron dynamics in condensed phases. 

Kazuo Takatsuka, J. Chem. Phys. 147, 174102 (13 pages) (2017).　

https://doi.org/10.1063/1.4993240

164. Nonadiabatic electron wavepacket dynamics behind molecular autoionization.

Takahide Matsuoka and Kazuo Takatsuka, J. Chem. Phys. 148, 014106 (15 pages) (2018).

https://doi.org/10.1063/1.5000293

165. On photocatalytic cycle of water splitting with small manganese oxides and the roles of water cluster as a direct resource of oxygen molecules.

Kentaro Yamamoto and Kazuo Takatsuka, PCCP, 20, 6708-6725 (2018)

DOI:10.1039/c7cP0717j

166. Adiabatic and nonadiabatic dynamics in classical mechanics for coupled fast and slow modes: sudden transition caused by the fast mode against the slaving principle.

Kazuo Takatsuka, Mol. Phys. (Michael Baer Festschrift issue), 116, 2556-2570 (2018)

DOI:10.1080/00268976.2018.1430389

167. Conical-intersection dynamics and ground-state chemistry probed by extreme-ultraviolet time-resolved photoelectron spectroscopy

A. von Conta1, A. Tehlar, A. Schletter, Y. Arasaki, K. Takatsuka and H. J. Woerner, Nature Comm. 9, 3162 (2018)

DOI: 10.1038/s41467-018-05292-4

168. Collision induced charge separation in ground-state water splitting dynamics

Kentaro Yamamoto and Kazuo Takatsuka, PCCP, 20, 12229-12240 (2018).

DOI: 10.1039/c8cp00520f

169. Nonadiabatic nuclear and electronic quantum wavepacket dynamics

Kazuo Takatsuka, Chem. Phys. 515, 52-59 (2018).

https://doi.org/10.1016/j.chemphys.2018.07.006

170. Ab-initio calculation of femtosecond-time-resolved photoelectron spectra of NO₂ after excitation to the A-band

Andres Tehlar, Aaron von Conta,Yasuki Arasaki, Kazuo Takatsuka, and Hans Jakob

Woerner, J. Chem. Phys. 149, 034307 (2018). (13 pages)

https://doi.org/10.1063/1.5029365

171. Electronic and nuclear flux analysis on nonadiabatic electron transfer reaction: A view from single-configuration adiabatic Born-Oppenheimer representation

Rei Matsuzaki and Kazuo Takatsuka, J. Comput. Chem. (Morokuma memorial issue), 40　148-163 (2019). DOI: http://dx.doi.org/10.1002/jcc.25557

172. Electronic and nuclear fluxes induced by quantum interference in the adiabatic and nonadiabatic dynamics in the Born-Huang representation.

Rei Matsuzaki and Kazuo Takatsuka, J. Chem. Phys. 150, 014103 (2019). (22 pages)

   DOI: https://doi.org/10.1063/1.5066571

173. Chemical bonding and nonadiabatic electron wavepacket dynamics in densely quasi-degenerate excited state manifold of boron clusters.

Yasuki Arasaki and Kazuo Takatsuka, accepted for publication, J. Chem. Phys. 150, 114101 (18 pages) (2019)

DOI: https://doi.org/10.1063/1.5094149

174. On the Elementary Chemical Mechanisms of Directional Proton Transfers: A Nonadiabatic Electron-Wavepacket Dynamics Study.

Kentaro Yamamoto and Kazuo Takatsuka, J. Phys. Chem. A, 123, 4125-4138 (2019).

DOI: 10.1021/acs.jpca.9b01178

（成書）

１）高塚和夫 「分子の複雑性とカオス」　講談社, 2001年6月．

２）高塚和夫 「化学結合論入門　－量子論の基礎から学ぶ－」　東京大学出版会, 2007年9月．

３）高塚和夫，田中秀樹「分子熱統計力学」　東京大学出版会, 2014年11月．

４）“Chemical Theory beyond the Born-Oppenheimer Paradigm”, K. Takatsuka, T. Yonehara, K. Hanasaki, Y. Arasaki, (World Scientific, 2015)

（訳書）

１）高塚和夫「ファインマン経路積分」（講談社、1995）(原著：L.S. Schulman, "Techniques and applications of path integration." (Wiley, New York, 1981))

（編集）

１）「巨大分子系の計算化学」　（大峯巖，高塚和夫　編集）　CSJカレントレビュー０８，　日本化学会編　（化学同人，2012）

２）「ライブラリ　大学基礎化学」（高塚和夫　編集）　全16冊（予定）　サイエンス社　（2016年から順次刊行）