Matches in SemOpenAlex for { <https://semopenalex.org/work/W2090338725> ?p ?o ?g. }
- W2090338725 abstract "In this work we show how the vibrational coupled-cluster method at the two-mode coupling level can be used to calculate zero-point vibrational averages of properties. A technique is presented, where any expectation value can be calculated using a single set of Lagrangian multipliers computed solving iteratively a single linear set of equations. Sample calculations are presented which show that the resulting algorithm scales only with the third power of the number of modes, therefore making large systems accessible. Moreover, we present applications to water, pyrrole, and para-nitroaniline." @default.
- W2090338725 created "2016-06-24" @default.
- W2090338725 creator A5002433288 @default.
- W2090338725 creator A5005063057 @default.
- W2090338725 creator A5011917108 @default.
- W2090338725 date "2011-04-15" @default.
- W2090338725 modified "2023-10-17" @default.
- W2090338725 title "Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level" @default.
- W2090338725 cites W1486816649 @default.
- W2090338725 cites W1964199789 @default.
- W2090338725 cites W1974005212 @default.
- W2090338725 cites W1977262742 @default.
- W2090338725 cites W1983130592 @default.
- W2090338725 cites W1987836920 @default.
- W2090338725 cites W1995204673 @default.
- W2090338725 cites W1996528265 @default.
- W2090338725 cites W1997390567 @default.
- W2090338725 cites W1997775947 @default.
- W2090338725 cites W2000439700 @default.
- W2090338725 cites W2002393465 @default.
- W2090338725 cites W2007292399 @default.
- W2090338725 cites W2010191833 @default.
- W2090338725 cites W2011262979 @default.
- W2090338725 cites W2011939287 @default.
- W2090338725 cites W2015325351 @default.
- W2090338725 cites W2023735753 @default.
- W2090338725 cites W2025380945 @default.
- W2090338725 cites W2028649200 @default.
- W2090338725 cites W2031311205 @default.
- W2090338725 cites W2031328838 @default.
- W2090338725 cites W2033736403 @default.
- W2090338725 cites W2034587418 @default.
- W2090338725 cites W2034864587 @default.
- W2090338725 cites W2037475786 @default.
- W2090338725 cites W2037704740 @default.
- W2090338725 cites W2041734147 @default.
- W2090338725 cites W2050063062 @default.
- W2090338725 cites W2052474949 @default.
- W2090338725 cites W2060534429 @default.
- W2090338725 cites W2061624481 @default.
- W2090338725 cites W2064905336 @default.
- W2090338725 cites W2069075205 @default.
- W2090338725 cites W2069553254 @default.
- W2090338725 cites W2072405411 @default.
- W2090338725 cites W2073027046 @default.
- W2090338725 cites W2075574642 @default.
- W2090338725 cites W2078457808 @default.
- W2090338725 cites W2082938738 @default.
- W2090338725 cites W2087971430 @default.
- W2090338725 cites W2089748847 @default.
- W2090338725 cites W2090236590 @default.
- W2090338725 cites W2101502885 @default.
- W2090338725 cites W2107053834 @default.
- W2090338725 cites W2109128643 @default.
- W2090338725 cites W2125410420 @default.
- W2090338725 cites W2159733694 @default.
- W2090338725 cites W2160665666 @default.
- W2090338725 cites W2170212154 @default.
- W2090338725 cites W2319036076 @default.
- W2090338725 doi "https://doi.org/10.1063/1.3560027" @default.
- W2090338725 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21513369" @default.
- W2090338725 hasPublicationYear "2011" @default.
- W2090338725 type Work @default.
- W2090338725 sameAs 2090338725 @default.
- W2090338725 citedByCount "8" @default.
- W2090338725 countsByYear W20903387252012 @default.
- W2090338725 countsByYear W20903387252015 @default.
- W2090338725 countsByYear W20903387252016 @default.
- W2090338725 countsByYear W20903387252019 @default.
- W2090338725 countsByYear W20903387252020 @default.
- W2090338725 countsByYear W20903387252023 @default.
- W2090338725 crossrefType "journal-article" @default.
- W2090338725 hasAuthorship W2090338725A5002433288 @default.
- W2090338725 hasAuthorship W2090338725A5005063057 @default.
- W2090338725 hasAuthorship W2090338725A5011917108 @default.
- W2090338725 hasConcept C111919701 @default.
- W2090338725 hasConcept C11413529 @default.
- W2090338725 hasConcept C121332964 @default.
- W2090338725 hasConcept C121864883 @default.
- W2090338725 hasConcept C131584629 @default.
- W2090338725 hasConcept C164866538 @default.
- W2090338725 hasConcept C177264268 @default.
- W2090338725 hasConcept C18762648 @default.
- W2090338725 hasConcept C191897082 @default.
- W2090338725 hasConcept C192562407 @default.
- W2090338725 hasConcept C19637589 @default.
- W2090338725 hasConcept C199360897 @default.
- W2090338725 hasConcept C30475298 @default.
- W2090338725 hasConcept C32909587 @default.
- W2090338725 hasConcept C33923547 @default.
- W2090338725 hasConcept C41008148 @default.
- W2090338725 hasConcept C45374587 @default.
- W2090338725 hasConcept C48677424 @default.
- W2090338725 hasConcept C62520636 @default.
- W2090338725 hasConceptScore W2090338725C111919701 @default.
- W2090338725 hasConceptScore W2090338725C11413529 @default.
- W2090338725 hasConceptScore W2090338725C121332964 @default.
- W2090338725 hasConceptScore W2090338725C121864883 @default.
- W2090338725 hasConceptScore W2090338725C131584629 @default.
- W2090338725 hasConceptScore W2090338725C164866538 @default.