Matches in SemOpenAlex for { <https://semopenalex.org/work/W2079894725> ?p ?o ?g. }
- W2079894725 abstract "A semiclassical (SC) approximation to the quantum mechanical propagator for nonadiabatic systems is derived. Our derivation starts with an exact path integral expression that uses canonical coherent states for the nuclear degrees of freedom and spin coherent states for the electronic degrees of freedom. A stationary path approximation (SPA) is then applied to the path integral to obtain the SC approximation. The SPA results in complex classical trajectories of both nuclear and electronic degrees of freedom and a double ended boundary condition. The root search problem is solved using the previously proposed real trajectory local search algorithm. The SC approximation is tested on three simple one dimensional two-state systems proposed by Tully [J. Chem. Phys. 93, 1061 (1990)], and the SC results are compared to Ehrenfest and surface hopping predictions. Excellent agreement with quantum results is reached when the SC trajectory is far away from caustics. We discuss the origin of caustics in this SC formalism and the strengths and weaknesses of this approach." @default.
- W2079894725 created "2016-06-24" @default.
- W2079894725 creator A5012778333 @default.
- W2079894725 creator A5016472709 @default.
- W2079894725 date "2006-04-04" @default.
- W2079894725 modified "2023-09-24" @default.
- W2079894725 title "A coherent state approach to semiclassical nonadiabatic dynamics" @default.
- W2079894725 cites W1965661957 @default.
- W2079894725 cites W1966048890 @default.
- W2079894725 cites W1968057376 @default.
- W2079894725 cites W1977292773 @default.
- W2079894725 cites W1977912271 @default.
- W2079894725 cites W1980151317 @default.
- W2079894725 cites W1981675908 @default.
- W2079894725 cites W1989700390 @default.
- W2079894725 cites W1994343679 @default.
- W2079894725 cites W2000035775 @default.
- W2079894725 cites W2003196873 @default.
- W2079894725 cites W2004927938 @default.
- W2079894725 cites W2004931654 @default.
- W2079894725 cites W2011619109 @default.
- W2079894725 cites W2011748392 @default.
- W2079894725 cites W2012378053 @default.
- W2079894725 cites W2013931754 @default.
- W2079894725 cites W2020566147 @default.
- W2079894725 cites W2022670120 @default.
- W2079894725 cites W2025305710 @default.
- W2079894725 cites W2027077932 @default.
- W2079894725 cites W2032568907 @default.
- W2079894725 cites W2036512490 @default.
- W2079894725 cites W2036853286 @default.
- W2079894725 cites W2037934295 @default.
- W2079894725 cites W2038865006 @default.
- W2079894725 cites W2042150090 @default.
- W2079894725 cites W2042175898 @default.
- W2079894725 cites W2046508128 @default.
- W2079894725 cites W2046738275 @default.
- W2079894725 cites W2050753526 @default.
- W2079894725 cites W2051199537 @default.
- W2079894725 cites W2051367285 @default.
- W2079894725 cites W2052932598 @default.
- W2079894725 cites W2055032509 @default.
- W2079894725 cites W2059291018 @default.
- W2079894725 cites W2061245571 @default.
- W2079894725 cites W2066556212 @default.
- W2079894725 cites W2068920655 @default.
- W2079894725 cites W2087902811 @default.
- W2079894725 cites W2144881536 @default.
- W2079894725 cites W2800685835 @default.
- W2079894725 cites W3099302131 @default.
- W2079894725 cites W3103492663 @default.
- W2079894725 cites W3106309184 @default.
- W2079894725 doi "https://doi.org/10.1063/1.2183307" @default.
- W2079894725 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16613446" @default.
- W2079894725 hasPublicationYear "2006" @default.
- W2079894725 type Work @default.
- W2079894725 sameAs 2079894725 @default.
- W2079894725 citedByCount "6" @default.
- W2079894725 countsByYear W20798947252019 @default.
- W2079894725 countsByYear W20798947252021 @default.
- W2079894725 countsByYear W20798947252023 @default.
- W2079894725 crossrefType "journal-article" @default.
- W2079894725 hasAuthorship W2079894725A5012778333 @default.
- W2079894725 hasAuthorship W2079894725A5016472709 @default.
- W2079894725 hasConcept C104416048 @default.
- W2079894725 hasConcept C121332964 @default.
- W2079894725 hasConcept C13662910 @default.
- W2079894725 hasConcept C142362112 @default.
- W2079894725 hasConcept C152026323 @default.
- W2079894725 hasConcept C153349607 @default.
- W2079894725 hasConcept C154018700 @default.
- W2079894725 hasConcept C208081375 @default.
- W2079894725 hasConcept C2780242237 @default.
- W2079894725 hasConcept C535169671 @default.
- W2079894725 hasConcept C558565934 @default.
- W2079894725 hasConcept C62520636 @default.
- W2079894725 hasConcept C73301696 @default.
- W2079894725 hasConcept C74650414 @default.
- W2079894725 hasConcept C84114770 @default.
- W2079894725 hasConceptScore W2079894725C104416048 @default.
- W2079894725 hasConceptScore W2079894725C121332964 @default.
- W2079894725 hasConceptScore W2079894725C13662910 @default.
- W2079894725 hasConceptScore W2079894725C142362112 @default.
- W2079894725 hasConceptScore W2079894725C152026323 @default.
- W2079894725 hasConceptScore W2079894725C153349607 @default.
- W2079894725 hasConceptScore W2079894725C154018700 @default.
- W2079894725 hasConceptScore W2079894725C208081375 @default.
- W2079894725 hasConceptScore W2079894725C2780242237 @default.
- W2079894725 hasConceptScore W2079894725C535169671 @default.
- W2079894725 hasConceptScore W2079894725C558565934 @default.
- W2079894725 hasConceptScore W2079894725C62520636 @default.
- W2079894725 hasConceptScore W2079894725C73301696 @default.
- W2079894725 hasConceptScore W2079894725C74650414 @default.
- W2079894725 hasConceptScore W2079894725C84114770 @default.
- W2079894725 hasIssue "13" @default.
- W2079894725 hasLocation W20798947251 @default.
- W2079894725 hasLocation W20798947252 @default.
- W2079894725 hasOpenAccess W2079894725 @default.
- W2079894725 hasPrimaryLocation W20798947251 @default.
- W2079894725 hasRelatedWork W1729706581 @default.