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Nuclear wavepackets along quantum paths in nonadiabatic electron wavepacket dynamics

Authors :
Kazuo Takatsuka
Source :
Chemical Physics. 515:52-59
Publication Year :
2018
Publisher :
Elsevier BV, 2018.

Abstract

The path-branching theory as a nonadiabatic electron wavepacket theory (Yonehara et al., 2012), in which nonadiabatic electron wavepackets are propagated in time along branching nuclear paths, is extended so that Gaussian nuclear wavepackets are to be evolved in time along the variational quantum paths, which are determined consistently with the electron dynamics.

Details

ISSN :
03010104
Volume :
515
Database :
OpenAIRE
Journal :
Chemical Physics
Accession number :
edsair.doi...........08eb506abf02aac8ab1f37d515ecf397