Matches in SemOpenAlex for { <https://semopenalex.org/work/W1569190897> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W1569190897 abstract "In molecular dynamics applications there is a growing interest in including quantum effects for simulations of larger molecules. This paper is concerned with mixed quantum-classical models which are currently discussed: the so-called QCMD model with variants and the time-dependent Born-Oppenheimer approximation. All these models are known to approximate the full quantum dynamical evolution—under different assumptions, however. We review the meaning of these assumptions and the scope of the approximation. In particular, we characterize those typical problematic situations where a mixed model might largely deviate from the full quantum evolution. One such situation of specific interest, a nonadiabatic excitation at certain energy level crossings, can promisingly be dealt with by a modification of the QCMD model that we suggest." @default.
- W1569190897 created "2016-06-24" @default.
- W1569190897 creator A5057954330 @default.
- W1569190897 creator A5087948154 @default.
- W1569190897 date "1999-01-01" @default.
- W1569190897 modified "2023-09-25" @default.
- W1569190897 title "Approximation Properties and Limits of the Quantum-Classical Molecular Dynamics Model" @default.
- W1569190897 cites W1549037739 @default.
- W1569190897 cites W1562976195 @default.
- W1569190897 cites W1969458555 @default.
- W1569190897 cites W1981659415 @default.
- W1569190897 cites W2031828766 @default.
- W1569190897 cites W2052887879 @default.
- W1569190897 cites W2054601803 @default.
- W1569190897 cites W2058641128 @default.
- W1569190897 cites W2075318623 @default.
- W1569190897 cites W2077207707 @default.
- W1569190897 cites W2080960036 @default.
- W1569190897 cites W2126479355 @default.
- W1569190897 cites W2147490812 @default.
- W1569190897 cites W2476734611 @default.
- W1569190897 cites W4231411963 @default.
- W1569190897 doi "https://doi.org/10.1007/978-3-642-58360-5_21" @default.
- W1569190897 hasPublicationYear "1999" @default.
- W1569190897 type Work @default.
- W1569190897 sameAs 1569190897 @default.
- W1569190897 citedByCount "4" @default.
- W1569190897 crossrefType "book-chapter" @default.
- W1569190897 hasAuthorship W1569190897A5057954330 @default.
- W1569190897 hasAuthorship W1569190897A5087948154 @default.
- W1569190897 hasConcept C121332964 @default.
- W1569190897 hasConcept C121864883 @default.
- W1569190897 hasConcept C15184713 @default.
- W1569190897 hasConcept C15744967 @default.
- W1569190897 hasConcept C199360897 @default.
- W1569190897 hasConcept C2778012447 @default.
- W1569190897 hasConcept C2780876879 @default.
- W1569190897 hasConcept C33332235 @default.
- W1569190897 hasConcept C41008148 @default.
- W1569190897 hasConcept C542102704 @default.
- W1569190897 hasConcept C62520636 @default.
- W1569190897 hasConcept C84114770 @default.
- W1569190897 hasConceptScore W1569190897C121332964 @default.
- W1569190897 hasConceptScore W1569190897C121864883 @default.
- W1569190897 hasConceptScore W1569190897C15184713 @default.
- W1569190897 hasConceptScore W1569190897C15744967 @default.
- W1569190897 hasConceptScore W1569190897C199360897 @default.
- W1569190897 hasConceptScore W1569190897C2778012447 @default.
- W1569190897 hasConceptScore W1569190897C2780876879 @default.
- W1569190897 hasConceptScore W1569190897C33332235 @default.
- W1569190897 hasConceptScore W1569190897C41008148 @default.
- W1569190897 hasConceptScore W1569190897C542102704 @default.
- W1569190897 hasConceptScore W1569190897C62520636 @default.
- W1569190897 hasConceptScore W1569190897C84114770 @default.
- W1569190897 hasLocation W15691908971 @default.
- W1569190897 hasOpenAccess W1569190897 @default.
- W1569190897 hasPrimaryLocation W15691908971 @default.
- W1569190897 hasRelatedWork W141596696 @default.
- W1569190897 hasRelatedWork W1597592762 @default.
- W1569190897 hasRelatedWork W1898337837 @default.
- W1569190897 hasRelatedWork W2037733582 @default.
- W1569190897 hasRelatedWork W2071470464 @default.
- W1569190897 hasRelatedWork W2075318623 @default.
- W1569190897 hasRelatedWork W2084089150 @default.
- W1569190897 hasRelatedWork W2161268196 @default.
- W1569190897 hasRelatedWork W2312069 @default.
- W1569190897 hasRelatedWork W2737621602 @default.
- W1569190897 hasRelatedWork W2768597408 @default.
- W1569190897 hasRelatedWork W2782746958 @default.
- W1569190897 hasRelatedWork W2990610845 @default.
- W1569190897 hasRelatedWork W3100807225 @default.
- W1569190897 hasRelatedWork W3102613787 @default.
- W1569190897 hasRelatedWork W3105906364 @default.
- W1569190897 hasRelatedWork W3123461341 @default.
- W1569190897 hasRelatedWork W3159885990 @default.
- W1569190897 hasRelatedWork W3213341396 @default.
- W1569190897 hasRelatedWork W2346261095 @default.
- W1569190897 isParatext "false" @default.
- W1569190897 isRetracted "false" @default.
- W1569190897 magId "1569190897" @default.
- W1569190897 workType "book-chapter" @default.