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

Research output: Contribution to journalArticlepeer-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 languageAmerican English
Pages (from-to)6998-7002
Number of pages5
JournalJournal of Chemical Physics
Volume119
Issue number14
DOIs
StatePublished - 8 Oct 2003

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