Matches in SemOpenAlex for { <https://semopenalex.org/work/W2024016842> ?p ?o ?g. }
- W2024016842 endingPage "130" @default.
- W2024016842 startingPage "123" @default.
- W2024016842 abstract "A method based on the Hellmann–Feynman theorem is proposed for calculating expectation values of operators non-commutative with the system Hamiltonian, Ĥ0. It is applicable in both the low-storage filter-diagonalization (LSFD) and Lanczos methods. Specifically, LSFD is used to determine eigenvalues of Ĥ0 and a perturbed Hamiltonian consisting of Ĥ0 and the non-commutative operator Ĥ′: Ĥλ=Ĥ0+λĤ′. The difference between the two spectra yields the expectation values of Ĥ′ without explicit calculating the eigenstates. For an appropriate choice of Ĥ′, information about vibrational assignments can be obtained. As an example, the vibrational assignment of HOCl and its Fermi resonances are analyzed." @default.
- W2024016842 created "2016-06-24" @default.
- W2024016842 creator A5038375764 @default.
- W2024016842 creator A5061561396 @default.
- W2024016842 date "1999-07-01" @default.
- W2024016842 modified "2023-09-27" @default.
- W2024016842 title "A low-storage filter-diagonalization method to calculate expectation values of operators non-commutative with the Hamiltonian: Vibrational assignment of HOCl" @default.
- W2024016842 cites W1964829729 @default.
- W2024016842 cites W1965934268 @default.
- W2024016842 cites W1970629505 @default.
- W2024016842 cites W1972273302 @default.
- W2024016842 cites W1979517311 @default.
- W2024016842 cites W1982680048 @default.
- W2024016842 cites W1985915547 @default.
- W2024016842 cites W1992128607 @default.
- W2024016842 cites W1994330319 @default.
- W2024016842 cites W1995796370 @default.
- W2024016842 cites W1999835262 @default.
- W2024016842 cites W2002543616 @default.
- W2024016842 cites W2007305697 @default.
- W2024016842 cites W2015041956 @default.
- W2024016842 cites W2024331112 @default.
- W2024016842 cites W2026213782 @default.
- W2024016842 cites W2040785422 @default.
- W2024016842 cites W2043003298 @default.
- W2024016842 cites W2057195031 @default.
- W2024016842 cites W2062980285 @default.
- W2024016842 cites W2064289922 @default.
- W2024016842 cites W2073125394 @default.
- W2024016842 cites W2079214963 @default.
- W2024016842 cites W2079596394 @default.
- W2024016842 cites W2083409117 @default.
- W2024016842 cites W2087320386 @default.
- W2024016842 cites W2092763307 @default.
- W2024016842 cites W2117686912 @default.
- W2024016842 cites W2120847757 @default.
- W2024016842 doi "https://doi.org/10.1016/s0009-2614(99)00582-5" @default.
- W2024016842 hasPublicationYear "1999" @default.
- W2024016842 type Work @default.
- W2024016842 sameAs 2024016842 @default.
- W2024016842 citedByCount "20" @default.
- W2024016842 countsByYear W20240168422012 @default.
- W2024016842 countsByYear W20240168422014 @default.
- W2024016842 countsByYear W20240168422017 @default.
- W2024016842 countsByYear W20240168422020 @default.
- W2024016842 crossrefType "journal-article" @default.
- W2024016842 hasAuthorship W2024016842A5038375764 @default.
- W2024016842 hasAuthorship W2024016842A5061561396 @default.
- W2024016842 hasConcept C104317684 @default.
- W2024016842 hasConcept C119256216 @default.
- W2024016842 hasConcept C121332964 @default.
- W2024016842 hasConcept C126255220 @default.
- W2024016842 hasConcept C130787639 @default.
- W2024016842 hasConcept C147597530 @default.
- W2024016842 hasConcept C158448853 @default.
- W2024016842 hasConcept C158693339 @default.
- W2024016842 hasConcept C17020691 @default.
- W2024016842 hasConcept C183778304 @default.
- W2024016842 hasConcept C185592680 @default.
- W2024016842 hasConcept C202444582 @default.
- W2024016842 hasConcept C33923547 @default.
- W2024016842 hasConcept C37914503 @default.
- W2024016842 hasConcept C55493867 @default.
- W2024016842 hasConcept C62520636 @default.
- W2024016842 hasConcept C65574998 @default.
- W2024016842 hasConcept C86339819 @default.
- W2024016842 hasConceptScore W2024016842C104317684 @default.
- W2024016842 hasConceptScore W2024016842C119256216 @default.
- W2024016842 hasConceptScore W2024016842C121332964 @default.
- W2024016842 hasConceptScore W2024016842C126255220 @default.
- W2024016842 hasConceptScore W2024016842C130787639 @default.
- W2024016842 hasConceptScore W2024016842C147597530 @default.
- W2024016842 hasConceptScore W2024016842C158448853 @default.
- W2024016842 hasConceptScore W2024016842C158693339 @default.
- W2024016842 hasConceptScore W2024016842C17020691 @default.
- W2024016842 hasConceptScore W2024016842C183778304 @default.
- W2024016842 hasConceptScore W2024016842C185592680 @default.
- W2024016842 hasConceptScore W2024016842C202444582 @default.
- W2024016842 hasConceptScore W2024016842C33923547 @default.
- W2024016842 hasConceptScore W2024016842C37914503 @default.
- W2024016842 hasConceptScore W2024016842C55493867 @default.
- W2024016842 hasConceptScore W2024016842C62520636 @default.
- W2024016842 hasConceptScore W2024016842C65574998 @default.
- W2024016842 hasConceptScore W2024016842C86339819 @default.
- W2024016842 hasIssue "1-2" @default.
- W2024016842 hasLocation W20240168421 @default.
- W2024016842 hasOpenAccess W2024016842 @default.
- W2024016842 hasPrimaryLocation W20240168421 @default.
- W2024016842 hasRelatedWork W1800020650 @default.
- W2024016842 hasRelatedWork W1982441563 @default.
- W2024016842 hasRelatedWork W2019942754 @default.
- W2024016842 hasRelatedWork W2024016842 @default.
- W2024016842 hasRelatedWork W2044376970 @default.
- W2024016842 hasRelatedWork W2166158430 @default.
- W2024016842 hasRelatedWork W2263567897 @default.
- W2024016842 hasRelatedWork W2323370885 @default.
- W2024016842 hasRelatedWork W2614097521 @default.
- W2024016842 hasRelatedWork W2964252927 @default.