General Born-Oppenheimer-Huang approach to systems of electrons and nuclei

Roi Baer; Donald J. Kouri; Michael Baer; David K. Hoffman

doi:10.1063/1.1606433

General Born-Oppenheimer-Huang approach to systems of electrons and nuclei

Roi Baer, Donald J. Kouri, Michael Baer^*, David K. Hoffman

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

Abstract

The most general treatment of the time-dependent Schrodinger equation describing systems of nuclei and electrons leads to equations which involve contributions to nuclear momentum operator in addition to ℏ/i times the nuclear gradient operator. As an application to theory, a method to treat the nuclear dynamics under strong electromagnetic fields is presented. The proposed treatment includes the projection of the fully time-dependent states at time t on the adiabatic states at time t=0.

Original language	English
Pages (from-to)	6998-7002
Number of pages	5
Journal	Journal of Chemical Physics
Volume	119
Issue number	14
DOIs	https://doi.org/10.1063/1.1606433
State	Published - 8 Oct 2003

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General Born-Oppenheimer-Huang approach to systems of electrons and nuclei

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