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On the Hartree-Fock approximation to the electronic structure of molecule in the intense radiation field and the strong vibronic coupling |
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| Authors: | Yoshihiro Asai Tokio Yamabe Kenichi Fukui |
| Affiliation: | (1) Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, 606 Kyoto, Japan;(2) Kyoto Institute of Technology, 606 Kyoto, Japan;(3) Present address: Electrotechnical Laboratory, Umezono, Sakura-mura, 305 Ibaraki, Japan;(4) Present address: Division of Molecular Engineering, Graduate School of Engineering, Kyoto University, 606 Kyoto, Japan;(5) Present address: Institute for Fundamental Chemistry, 15 Morimoto-cho, Shimogamo, Sakyo-ku, 606 Kyoto, Japan |
| Abstract: | The Hartree-Fock approximation has been generalized to incorporate the nonadiabatic effect of molecular vibration previously by Tachibana et al. Here, we will derive the Hartree-Fock equation which reflects also the nonlinear effect of the infrared radiation field as well by using the Bloch-Nordsieck transformation which was discussed first by Nguyen-Dang and Bandrauk in the field of molecular physics. The Hartree-Fock equation reflects the non-adiabatic coupling between an electron and a molecular vibration and between the electron and a infrared radiation fields. The infrared radiation field also affects the dynamics of nuclear motion.Dedicated to Professor J. Koutecký on the occasion of his 65th birthday |
| Keywords: | Hartree-Fock approximation Bloch-Nordsieck transformation Dressed molecular Hamiltonian Vibronic coupling |
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