Matches in SemOpenAlex for { <https://semopenalex.org/work/W2059934944> ?p ?o ?g. }
Showing items 1 to 79 of
79
with 100 items per page.
- W2059934944 endingPage "9819" @default.
- W2059934944 startingPage "9815" @default.
- W2059934944 abstract "Full-dimensional first dipole hyperpolarizability surfaces of NH3 are determined by means of multiconfigurational quadratic response theory. On the basis of the two-dimensional, symmetric stretching vs inversion, hyperpolarizability functions, and approximate vibrational wave functions, effective inversional hyperpolarizability moments are evaluated for the D3h ammonia isotopomers. The calculations have revealed their strong vibrational and frequency dependence. A fairly close reproduction of the first hyperpolarizability ESHG constant β (632.8 nm) by theory indicates that the major correction to the one-particle hyperpolarizability is obtained by variational wave functions including a comparatively small set of active orbitals. We find that a meaningful comparison with experimental results can only be obtained by an appropriate evaluation of both the vibrational and the correlated dispersion dependencies." @default.
- W2059934944 created "2016-06-24" @default.
- W2059934944 creator A5023289690 @default.
- W2059934944 creator A5053665869 @default.
- W2059934944 creator A5061725692 @default.
- W2059934944 creator A5075916046 @default.
- W2059934944 date "1993-12-15" @default.
- W2059934944 modified "2023-09-25" @default.
- W2059934944 title "Dipole hyperpolarizability surfaces of ammonia" @default.
- W2059934944 cites W1991490508 @default.
- W2059934944 cites W1998708727 @default.
- W2059934944 cites W2011672069 @default.
- W2059934944 cites W2050039205 @default.
- W2059934944 cites W2052297425 @default.
- W2059934944 cites W2057939522 @default.
- W2059934944 cites W2062376678 @default.
- W2059934944 cites W2064162080 @default.
- W2059934944 cites W2090634772 @default.
- W2059934944 cites W2093375579 @default.
- W2059934944 cites W2157536346 @default.
- W2059934944 cites W3006789192 @default.
- W2059934944 cites W4243567315 @default.
- W2059934944 doi "https://doi.org/10.1063/1.465463" @default.
- W2059934944 hasPublicationYear "1993" @default.
- W2059934944 type Work @default.
- W2059934944 sameAs 2059934944 @default.
- W2059934944 citedByCount "13" @default.
- W2059934944 crossrefType "journal-article" @default.
- W2059934944 hasAuthorship W2059934944A5023289690 @default.
- W2059934944 hasAuthorship W2059934944A5053665869 @default.
- W2059934944 hasAuthorship W2059934944A5061725692 @default.
- W2059934944 hasAuthorship W2059934944A5075916046 @default.
- W2059934944 hasConcept C113603373 @default.
- W2059934944 hasConcept C121332964 @default.
- W2059934944 hasConcept C139287275 @default.
- W2059934944 hasConcept C147597530 @default.
- W2059934944 hasConcept C152365726 @default.
- W2059934944 hasConcept C173523689 @default.
- W2059934944 hasConcept C178790620 @default.
- W2059934944 hasConcept C184779094 @default.
- W2059934944 hasConcept C185592680 @default.
- W2059934944 hasConcept C2780694488 @default.
- W2059934944 hasConcept C32909587 @default.
- W2059934944 hasConcept C41999313 @default.
- W2059934944 hasConcept C65956243 @default.
- W2059934944 hasConceptScore W2059934944C113603373 @default.
- W2059934944 hasConceptScore W2059934944C121332964 @default.
- W2059934944 hasConceptScore W2059934944C139287275 @default.
- W2059934944 hasConceptScore W2059934944C147597530 @default.
- W2059934944 hasConceptScore W2059934944C152365726 @default.
- W2059934944 hasConceptScore W2059934944C173523689 @default.
- W2059934944 hasConceptScore W2059934944C178790620 @default.
- W2059934944 hasConceptScore W2059934944C184779094 @default.
- W2059934944 hasConceptScore W2059934944C185592680 @default.
- W2059934944 hasConceptScore W2059934944C2780694488 @default.
- W2059934944 hasConceptScore W2059934944C32909587 @default.
- W2059934944 hasConceptScore W2059934944C41999313 @default.
- W2059934944 hasConceptScore W2059934944C65956243 @default.
- W2059934944 hasIssue "12" @default.
- W2059934944 hasLocation W20599349441 @default.
- W2059934944 hasOpenAccess W2059934944 @default.
- W2059934944 hasPrimaryLocation W20599349441 @default.
- W2059934944 hasRelatedWork W1501942695 @default.
- W2059934944 hasRelatedWork W1973495273 @default.
- W2059934944 hasRelatedWork W1977467190 @default.
- W2059934944 hasRelatedWork W2038052269 @default.
- W2059934944 hasRelatedWork W2039370669 @default.
- W2059934944 hasRelatedWork W2074296348 @default.
- W2059934944 hasRelatedWork W2335330263 @default.
- W2059934944 hasRelatedWork W2515713458 @default.
- W2059934944 hasRelatedWork W2588233311 @default.
- W2059934944 hasRelatedWork W2795307802 @default.
- W2059934944 hasVolume "99" @default.
- W2059934944 isParatext "false" @default.
- W2059934944 isRetracted "false" @default.
- W2059934944 magId "2059934944" @default.
- W2059934944 workType "article" @default.