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Nuclear wavepackets along quantum paths in nonadiabatic electron wavepacket dynamics
- 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.
- Subjects :
- 010304 chemical physics
Chemistry
Wave packet
Gaussian
General Physics and Astronomy
Electron dynamics
Electron
010402 general chemistry
Branching (polymer chemistry)
01 natural sciences
0104 chemical sciences
symbols.namesake
Quantum mechanics
0103 physical sciences
symbols
Physics::Atomic Physics
Physical and Theoretical Chemistry
Quantum
Subjects
Details
- ISSN :
- 03010104
- Volume :
- 515
- Database :
- OpenAIRE
- Journal :
- Chemical Physics
- Accession number :
- edsair.doi...........08eb506abf02aac8ab1f37d515ecf397