Matches in SemOpenAlex for { <https://semopenalex.org/work/W2056547129> ?p ?o ?g. }
Showing items 1 to 64 of
64
with 100 items per page.
- W2056547129 endingPage "938" @default.
- W2056547129 startingPage "930" @default.
- W2056547129 abstract "The energy variance function U2 is defined in terms of the eigenfunction expansion for a trial wavefunction ψ. The relationship of U2 to certain upper- and lower-bound formulas for the energy and purity functions associated with ψ is discussed. The concurrently allowed values of U2 and the energy function ε fall within a bounded region, the shape of which depends partly upon the Schrödinger equation and partly upon those restrictions imposed by the incompleteness of the basis set used for the representation ψ. A number of exact relationships governing the behavior of ε, U2, and their derivatives along the boundary curve are worked out. The concept of the derivative wavefunction along the boundary is introduced, and an explicit prescription for its computation is given. Ways and means for the estimation of the true energy eigenvalue from the properties of an imperfect wavefunction are presented and discussed." @default.
- W2056547129 created "2016-06-24" @default.
- W2056547129 creator A5016905444 @default.
- W2056547129 date "1967-08-01" @default.
- W2056547129 modified "2023-09-23" @default.
- W2056547129 title "Molecular Schrödinger Equation. VII. Properties of the Energy Variance Function: The Estimation of Energy Eigenvalues" @default.
- W2056547129 cites W2003173769 @default.
- W2056547129 doi "https://doi.org/10.1063/1.1712058" @default.
- W2056547129 hasPublicationYear "1967" @default.
- W2056547129 type Work @default.
- W2056547129 sameAs 2056547129 @default.
- W2056547129 citedByCount "30" @default.
- W2056547129 countsByYear W20565471292017 @default.
- W2056547129 crossrefType "journal-article" @default.
- W2056547129 hasAuthorship W2056547129A5016905444 @default.
- W2056547129 hasConcept C113603373 @default.
- W2056547129 hasConcept C121332964 @default.
- W2056547129 hasConcept C128803854 @default.
- W2056547129 hasConcept C134306372 @default.
- W2056547129 hasConcept C14036430 @default.
- W2056547129 hasConcept C158693339 @default.
- W2056547129 hasConcept C186370098 @default.
- W2056547129 hasConcept C28826006 @default.
- W2056547129 hasConcept C33923547 @default.
- W2056547129 hasConcept C34388435 @default.
- W2056547129 hasConcept C62520636 @default.
- W2056547129 hasConcept C63036615 @default.
- W2056547129 hasConcept C78458016 @default.
- W2056547129 hasConcept C86803240 @default.
- W2056547129 hasConceptScore W2056547129C113603373 @default.
- W2056547129 hasConceptScore W2056547129C121332964 @default.
- W2056547129 hasConceptScore W2056547129C128803854 @default.
- W2056547129 hasConceptScore W2056547129C134306372 @default.
- W2056547129 hasConceptScore W2056547129C14036430 @default.
- W2056547129 hasConceptScore W2056547129C158693339 @default.
- W2056547129 hasConceptScore W2056547129C186370098 @default.
- W2056547129 hasConceptScore W2056547129C28826006 @default.
- W2056547129 hasConceptScore W2056547129C33923547 @default.
- W2056547129 hasConceptScore W2056547129C34388435 @default.
- W2056547129 hasConceptScore W2056547129C62520636 @default.
- W2056547129 hasConceptScore W2056547129C63036615 @default.
- W2056547129 hasConceptScore W2056547129C78458016 @default.
- W2056547129 hasConceptScore W2056547129C86803240 @default.
- W2056547129 hasIssue "3" @default.
- W2056547129 hasLocation W20565471291 @default.
- W2056547129 hasOpenAccess W2056547129 @default.
- W2056547129 hasPrimaryLocation W20565471291 @default.
- W2056547129 hasRelatedWork W1649288208 @default.
- W2056547129 hasRelatedWork W2028648216 @default.
- W2056547129 hasRelatedWork W2051473789 @default.
- W2056547129 hasRelatedWork W2079682214 @default.
- W2056547129 hasRelatedWork W2611472548 @default.
- W2056547129 hasRelatedWork W2619291103 @default.
- W2056547129 hasRelatedWork W2787175253 @default.
- W2056547129 hasRelatedWork W2801793309 @default.
- W2056547129 hasRelatedWork W2989083112 @default.
- W2056547129 hasRelatedWork W4297792412 @default.
- W2056547129 hasVolume "47" @default.
- W2056547129 isParatext "false" @default.
- W2056547129 isRetracted "false" @default.
- W2056547129 magId "2056547129" @default.
- W2056547129 workType "article" @default.