Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer Paradigm by Yonehara, Takehiro, Hanasaki, Kota, Takatsuka, Kazuo

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Nonadiabtic electron dynamics in densely quasidegenerate states in highly excited boron cluster by Yonehara, Takehiro, Takatsuka, Kazuo

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Exploring dynamical electron theory beyond the Born-Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under... by TAKATSUKA, Kazuo, YONEHARA, Takehiro

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A quantum dynamics method for excited electrons in molecular aggregate system using a group diabatic Fock matrix by Yonehara, Takehiro, Nakajima, Takahito

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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 by Yonehara, Takehiro, Takatsuka, Kazuo

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Phase-space averaging and natural branching of nuclear paths for nonadiabatic electron wavepacket dynamics by Yonehara, Takehiro, Takatsuka, Kazuo

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Path-Branching Representation for Nonadiabatic Electron Dynamics in Conical Intersection by Yonehara, Takehiro, Takatsuka, Kazuo

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Nonadiabatic electron wavepacket dynamics of molecules in an intense optical field: An ab initio electronic state study by Yonehara, Takehiro, Takatsuka, Kazuo

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Nonadiabatic electron wavepacket study on symmetry breaking dynamics of the low-lying excited states of cyclic-B4 by Li, Zhong-wei, Yonehara, Takehiro, Takatsuka, Kazuo

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Non-Born-Oppenheimer electronic and nuclear wavepacket dynamics by Yonehara, Takehiro, Takahashi, Satoshi, Takatsuka, Kazuo

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Electron dynamics method using a locally projected group diabatic Fock matrix for molecules and aggregates by Yonehara, Takehiro, Nakajima, Takahito

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Quantum dynamics study on multichannel dissociation and isomerization reactions of formaldehyde by Yonehara, Takehiro, Kato, Shigeki

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Role of isomerization channel in unimolecular dissociation reaction H2CO→H2+CO:  Ab initio global potential energy surface and classical trajectory analysis by Yonehara, Takehiro, Kato, Shigeki

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Non-Born-Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions by Yonehara, Takehiro, Takatsuka, Kazuo

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Characterization of electron-deficient chemical bonding of diborane with attosecond electron wavepacket dynamics and laser response by Yonehara, Takehiro, Takatsuka, Kazuo

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Path-Branching Representation for Nonadiabatic Electron Dynamics in Conical Intersection : STRUCTURE AND DYNAMICS: BORN-OPPENHEIMER THEORIES AND APPLICATIONS, REACTION DYNAMICS, AN... by YONEHARA, Takehiro, TAKATSUKA, Kazuo

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Cumulative reaction probabilities for the unimolecular dissociation and isomerization reactions of formaldehyde by Yonehara, Takehiro, Yamamoto, Takeshi, Kato, Shigeki

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Finite temperature effects on the structural stability of Si-doped HfO2 using first-principles calculations by Harashima, Y., Koga, H., Ni, Z., Yonehara, T., Katouda, M., Notake, A., Matsui, H., Moriya, T., Si, M. K., Hasunuma, R., Uedono, A., Shigeta, Y.

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Systematic Search for Stabilizing Dopants in ZrO₂ and HfO₂ Using First-Principles Calculations by Harashima, Yosuke, Koga, Hiroaki, Ni, Zeyuan, Yonehara, Takehiro, Katouda, Michio, Notake, Akira, Matsui, Hidefumi, Moriya, Tsuyoshi, Si, Mrinal Kanti, Hasunuma, Ryu, Uedono, Akira, Shigeta, Yasuteru

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Proton dynamics in crystalline tropolone studied by Born-Oppenheimer molecular simulations by Brela, Mateusz Z., Wójcik, Marek J., Boczar, Marek, Witek, Łukasz J., Yonehara, Takehiro, Nakajima, Takahito, Ozaki, Yukihiro

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