Time-dependent multiconfiguration theory for electronic dynamics of molecules in an intense laser field

被引：233

作者：

Kato, T ^{[1
]}

Kono, H ^{[1
]}

机构：

[1] Tohoku Univ, Grad Sch Sci, Dept Chem, Sendai, Miyagi 9808578, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 392卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2004.05.106

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A multiconfiguration theory for electronic dynamics of molecules in an intense laser field is developed based on the Dirac Frenkel time-dependent variational principle. The equations of motion for spin-orbitals and configuration-interaction coefficients are explicitly given. Numerical calculations of electronic dynamics of a hydrogen molecule in an intense electronic field are performed as a practical application of the theory. (C) 2004 Elsevier B.V. All rights reserved.

引用

下载

页码：533 / 540

页数：8

共 50 条

[1] Time-Dependent Multiconfiguration Theory and Its Application to Ultrafast Electronic Dynamics of Molecules in an Intense Laser Field
Kato, Tsuyoshi
Oyamada, Takayuki
Kono, Hirohiko
Koseki, Shiro
PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT, 2012, (196): : 16 - 38
[2] Time-dependent multiconfiguration theory for electronic dynamics of molecules in intense laser fields: A description in terms of numerical orbital functions
Kato, Tsuyoshi
Kono, Hirohiko
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (18):
[3] Time-dependent multiconfiguration theory for ultrafast electronic dynamics of molecules in an intense laser field: Electron correlation and energy redistribution among natural orbitals
Kato, Tsuyoshi
Kono, Hirohiko
CHEMICAL PHYSICS, 2009, 366 (1-3) : 46 - 53
[4] Time-dependent multiconfiguration methods for multielectron dynamics in intense laser fields
20143618133006
(1) Photon Science Center, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan, 1600, Coherent, Inc.; et al.; Hamamatsu Photonics K. K.; Japan Laser Corp.; Spectra-Physics; Tokyo Instruments, Inc. (Optical Society of America (OSA)):
[5] Nonvariational time-dependent multiconfiguration self-consistent field equations for electronic dynamics in laser-driven molecules
Nguyen-Dang, T. Tung
Peters, Michel
Wang, Sen-Ming
Sinelnikov, Evgueni
Dion, Francois
JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (17):
[6] Time-dependent multiconfiguration self-consistent-field methods for multielectron dynamics in intense laser fields
Sato, Takeshi
Ishikawa, Kenichi L.
XXIX INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC, AND ATOMIC COLLISIONS (ICPEAC2015), PTS 1-12, 2015, 635
[7] Time-dependent multiconfiguration theory for describing molecular dynamics in diatomic-like molecules
Kato, Tsuyoshi
Yamanouchi, Kaoru
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (16):
[8] Time-dependent multiconfiguration self-consistent-field and time-dependent optimized coupled-cluster methods for intense laser-driven multielectron dynamics
Sato, Takeshi
Pathak, Himadri
Orimo, Yuki
Ishikawa, Kenichi L.
CANADIAN JOURNAL OF CHEMISTRY, 2023, 101 (09) : 698 - 709
[9] Multiconfiguration time-dependent Hartree-Fock treatment of electronic and nuclear dynamics in diatomic molecules
Haxton, D. J.
Lawler, K. V.
McCurdy, C. W.
PHYSICAL REVIEW A, 2011, 83 (06):
[10] Implementation of a time-dependent multiconfiguration self-consistent-field method for coupled electron-nuclear dynamics in diatomic molecules driven by intense laser pulses
Li, Yang
Sato, Takeshi
Ishikawa, Kenichi L.
PHYSICAL REVIEW A, 2021, 104 (04)

← 1 2 3 4 5 →