Matches in SemOpenAlex for { <https://semopenalex.org/work/W1994994781> ?p ?o ?g. }
- W1994994781 endingPage "6507" @default.
- W1994994781 startingPage "6499" @default.
- W1994994781 abstract "In this article, one of the more important dilemmas in molecular physics is considered: given a matrix of the nonadiabatic coupling terms of any desired dimension, what is the minimal sub-Hilbert space for which diabatization is still valid. This problem was addressed by one of us before (Baer, M. Chem. Phys. Lett. 2000, 329, 450), but it was recently established that the suggested criteria therein lead to subspaces that are too large to be of any use. In this article, we discuss the conditions that have to be satisfied to reach the minimal subspace. We have found that these conditions are related to the spatial distribution of the various nonadiabatic coupling terms. Thus, if nonadiabatic coupling terms for the relevant states overlap only slightly in configuration space, the required size of the subspace for diabatization can be reduced significantly. As an example, we consider the C2H molecule." @default.
- W1994994781 created "2016-06-24" @default.
- W1994994781 creator A5034534661 @default.
- W1994994781 creator A5079840517 @default.
- W1994994781 creator A5080163357 @default.
- W1994994781 date "2002-06-18" @default.
- W1994994781 modified "2023-09-27" @default.
- W1994994781 title "Necessary Conditions for a Rigorous Minimal Diabatic Potential Matrix" @default.
- W1994994781 cites W1616405802 @default.
- W1994994781 cites W1652062804 @default.
- W1994994781 cites W1653915578 @default.
- W1994994781 cites W1678789992 @default.
- W1994994781 cites W1966925427 @default.
- W1994994781 cites W1970285349 @default.
- W1994994781 cites W1973297634 @default.
- W1994994781 cites W1975270634 @default.
- W1994994781 cites W1975767149 @default.
- W1994994781 cites W1978740961 @default.
- W1994994781 cites W1978857818 @default.
- W1994994781 cites W1981717805 @default.
- W1994994781 cites W1981911515 @default.
- W1994994781 cites W1990773100 @default.
- W1994994781 cites W1992624594 @default.
- W1994994781 cites W1997152696 @default.
- W1994994781 cites W1999331396 @default.
- W1994994781 cites W2003387611 @default.
- W1994994781 cites W2006705633 @default.
- W1994994781 cites W2012651417 @default.
- W1994994781 cites W2014206718 @default.
- W1994994781 cites W2016146955 @default.
- W1994994781 cites W2020630058 @default.
- W1994994781 cites W2024013319 @default.
- W1994994781 cites W2025357349 @default.
- W1994994781 cites W2034208192 @default.
- W1994994781 cites W2040057841 @default.
- W1994994781 cites W2042810961 @default.
- W1994994781 cites W2043196209 @default.
- W1994994781 cites W2043453635 @default.
- W1994994781 cites W2050029872 @default.
- W1994994781 cites W2056009269 @default.
- W1994994781 cites W2063248418 @default.
- W1994994781 cites W2067462043 @default.
- W1994994781 cites W2076721903 @default.
- W1994994781 cites W2080542138 @default.
- W1994994781 cites W2080808228 @default.
- W1994994781 cites W2084349423 @default.
- W1994994781 cites W2091782861 @default.
- W1994994781 cites W2092363784 @default.
- W1994994781 cites W2092391430 @default.
- W1994994781 cites W2114780013 @default.
- W1994994781 cites W2146406469 @default.
- W1994994781 cites W2151752974 @default.
- W1994994781 doi "https://doi.org/10.1021/jp020105j" @default.
- W1994994781 hasPublicationYear "2002" @default.
- W1994994781 type Work @default.
- W1994994781 sameAs 1994994781 @default.
- W1994994781 citedByCount "8" @default.
- W1994994781 crossrefType "journal-article" @default.
- W1994994781 hasAuthorship W1994994781A5034534661 @default.
- W1994994781 hasAuthorship W1994994781A5079840517 @default.
- W1994994781 hasAuthorship W1994994781A5080163357 @default.
- W1994994781 hasConcept C106487976 @default.
- W1994994781 hasConcept C109663097 @default.
- W1994994781 hasConcept C111919701 @default.
- W1994994781 hasConcept C115852967 @default.
- W1994994781 hasConcept C121332964 @default.
- W1994994781 hasConcept C121864883 @default.
- W1994994781 hasConcept C12362212 @default.
- W1994994781 hasConcept C127413603 @default.
- W1994994781 hasConcept C131584629 @default.
- W1994994781 hasConcept C134306372 @default.
- W1994994781 hasConcept C147597530 @default.
- W1994994781 hasConcept C160172526 @default.
- W1994994781 hasConcept C185592680 @default.
- W1994994781 hasConcept C202444582 @default.
- W1994994781 hasConcept C2778572836 @default.
- W1994994781 hasConcept C32834561 @default.
- W1994994781 hasConcept C32909587 @default.
- W1994994781 hasConcept C33332235 @default.
- W1994994781 hasConcept C33676613 @default.
- W1994994781 hasConcept C33923547 @default.
- W1994994781 hasConcept C41008148 @default.
- W1994994781 hasConcept C43617362 @default.
- W1994994781 hasConcept C62520636 @default.
- W1994994781 hasConcept C62799726 @default.
- W1994994781 hasConcept C74650414 @default.
- W1994994781 hasConcept C78519656 @default.
- W1994994781 hasConceptScore W1994994781C106487976 @default.
- W1994994781 hasConceptScore W1994994781C109663097 @default.
- W1994994781 hasConceptScore W1994994781C111919701 @default.
- W1994994781 hasConceptScore W1994994781C115852967 @default.
- W1994994781 hasConceptScore W1994994781C121332964 @default.
- W1994994781 hasConceptScore W1994994781C121864883 @default.
- W1994994781 hasConceptScore W1994994781C12362212 @default.
- W1994994781 hasConceptScore W1994994781C127413603 @default.
- W1994994781 hasConceptScore W1994994781C131584629 @default.
- W1994994781 hasConceptScore W1994994781C134306372 @default.
- W1994994781 hasConceptScore W1994994781C147597530 @default.