Matches in SemOpenAlex for { <https://semopenalex.org/work/W2090898907> ?p ?o ?g. }
Showing items 1 to 86 of
86
with 100 items per page.
- W2090898907 endingPage "6154" @default.
- W2090898907 startingPage "6145" @default.
- W2090898907 abstract "The second-order response function has been implemented in the time-dependent four-component Hartree-Fock approximation. The implementation is atomic orbital direct and formulated in terms of Fock-type matrices. It employs a quaternion symmetry scheme that provides maximum computational efficiency with consideration made to time-reversal and spatial symmetries. Calculations are presented for the electric dipole first-order hyperpolarizabilities of CsAg and CsAu in the second-harmonic generation optical process beta(-2omega;omega,omega). It is shown that relativistic corrections to property values are substantial in these cases--the orientationally averaged hyperpolarizabilities in the static limit beta(0;0,0) are overestimated in nonrelativistic calculations by 18% and 66% for CsAg and CsAu, respectively. The dispersion displays anomalies in the band gap region due to one- and two-photon resonances with nonrelativistically spin-forbidden states. Although weakly absorbing these states inflict divergences in the quadratic response function, since the response theoretical approach which is used adopts the infinite excited-state lifetime approximation. This fact calls for caution in applications where knowledge of the exact positioning of all excited states in the spectrum is unknown." @default.
- W2090898907 created "2016-06-24" @default.
- W2090898907 creator A5034879764 @default.
- W2090898907 creator A5081528222 @default.
- W2090898907 date "2004-09-21" @default.
- W2090898907 modified "2023-09-25" @default.
- W2090898907 title "Quadratic response functions in the time-dependent four-component Hartree-Fock approximation" @default.
- W2090898907 cites W1966594605 @default.
- W2090898907 cites W1981232347 @default.
- W2090898907 cites W1982809301 @default.
- W2090898907 cites W1984694436 @default.
- W2090898907 cites W1991608169 @default.
- W2090898907 cites W1994691123 @default.
- W2090898907 cites W2000351933 @default.
- W2090898907 cites W2006292013 @default.
- W2090898907 cites W2017344081 @default.
- W2090898907 cites W2020618633 @default.
- W2090898907 cites W2022459586 @default.
- W2090898907 cites W2027011380 @default.
- W2090898907 cites W2034894909 @default.
- W2090898907 cites W2038724171 @default.
- W2090898907 cites W2050039205 @default.
- W2090898907 cites W2052312990 @default.
- W2090898907 cites W2052677190 @default.
- W2090898907 cites W2053678197 @default.
- W2090898907 cites W2061635528 @default.
- W2090898907 cites W2068843692 @default.
- W2090898907 cites W2071072703 @default.
- W2090898907 cites W2073974973 @default.
- W2090898907 cites W2082450141 @default.
- W2090898907 cites W2083441840 @default.
- W2090898907 cites W2085987514 @default.
- W2090898907 cites W2093705768 @default.
- W2090898907 cites W2157536346 @default.
- W2090898907 cites W2170503144 @default.
- W2090898907 doi "https://doi.org/10.1063/1.1785774" @default.
- W2090898907 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15446908" @default.
- W2090898907 hasPublicationYear "2004" @default.
- W2090898907 type Work @default.
- W2090898907 sameAs 2090898907 @default.
- W2090898907 citedByCount "23" @default.
- W2090898907 countsByYear W20908989072012 @default.
- W2090898907 countsByYear W20908989072013 @default.
- W2090898907 countsByYear W20908989072014 @default.
- W2090898907 countsByYear W20908989072015 @default.
- W2090898907 countsByYear W20908989072017 @default.
- W2090898907 countsByYear W20908989072018 @default.
- W2090898907 countsByYear W20908989072020 @default.
- W2090898907 countsByYear W20908989072022 @default.
- W2090898907 crossrefType "journal-article" @default.
- W2090898907 hasAuthorship W2090898907A5034879764 @default.
- W2090898907 hasAuthorship W2090898907A5081528222 @default.
- W2090898907 hasConcept C113630233 @default.
- W2090898907 hasConcept C114852677 @default.
- W2090898907 hasConcept C121332964 @default.
- W2090898907 hasConcept C173523689 @default.
- W2090898907 hasConcept C181500209 @default.
- W2090898907 hasConcept C62520636 @default.
- W2090898907 hasConceptScore W2090898907C113630233 @default.
- W2090898907 hasConceptScore W2090898907C114852677 @default.
- W2090898907 hasConceptScore W2090898907C121332964 @default.
- W2090898907 hasConceptScore W2090898907C173523689 @default.
- W2090898907 hasConceptScore W2090898907C181500209 @default.
- W2090898907 hasConceptScore W2090898907C62520636 @default.
- W2090898907 hasIssue "13" @default.
- W2090898907 hasLocation W20908989071 @default.
- W2090898907 hasLocation W20908989072 @default.
- W2090898907 hasOpenAccess W2090898907 @default.
- W2090898907 hasPrimaryLocation W20908989071 @default.
- W2090898907 hasRelatedWork W1984005243 @default.
- W2090898907 hasRelatedWork W1986211722 @default.
- W2090898907 hasRelatedWork W2023266362 @default.
- W2090898907 hasRelatedWork W2051709159 @default.
- W2090898907 hasRelatedWork W2060051479 @default.
- W2090898907 hasRelatedWork W2083362870 @default.
- W2090898907 hasRelatedWork W2095027071 @default.
- W2090898907 hasRelatedWork W2138406487 @default.
- W2090898907 hasRelatedWork W4376288918 @default.
- W2090898907 hasRelatedWork W2742147935 @default.
- W2090898907 hasVolume "121" @default.
- W2090898907 isParatext "false" @default.
- W2090898907 isRetracted "false" @default.
- W2090898907 magId "2090898907" @default.
- W2090898907 workType "article" @default.