Factorized Electron-Nuclear Dynamics with an Effective Complex Potential.
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DOI: 10.1021/acs.jctc.2c01019
Abstract: We present a quantum dynamics approach for molecular systems based on wave function factorization into components describing the light and heavy particles, such as electrons and nuclei. The dynamics of the nuclear subsystem can be… read more here.
Keywords: factorized electron; function; wave function; potential ... See more keywords