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Non-adiabatic reactive routes and the applicability of multiconfiguration time-dependent self-consistent field approximations

โœ Scribed by Kosloff, Ronnie; Hammerich, Audrey Dell


Book ID
121865228
Publisher
Royal Society of Chemistry
Year
1991
Tongue
English
Weight
763 KB
Volume
91
Category
Article
ISSN
1359-6640

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The time-dependent self-consistent field (TDSCF) approximation is applied to the coupled-mode vibrational dynamics of highly anharmonic quantum clusters, and its validity and accuracy for such systems are tested against exact quantum calculations. The calculations are pursued for bound but non-stati