FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1963608127> ?p ?o ?g. }

• W1963608127 endingPage "1293" @default.
• W1963608127 startingPage "1286" @default.
• W1963608127 abstract "Two different kinds of uncoupled Hartree–Fock (UCHF) Methods, Method C1/2 and Method C0, for the calculation of second-order physical properties are proposed. They differ from Dalgarno's uncoupled Hartree–Fock method (Method C1) by including half of the self-potential or not including the self-potential at all. They are formulated with a zeroth-order many-electron Hamiltonian, and first-order correction of both methods can be obtained without knowledge of the second-order orbitals. This situation is similar to the case studied by Tuan and co-workers for Method C1. The dipole polarizabilities for the He and Be isoelectronic sequences have been calculated by the three UCHF methods, αUCHF = α0, by the three UCHF methods with the first-order perturbation correction (PUCHF methods), αPUCHF = α0 + α1, and by the geometric approximation based on these three PUCHF methods, αgeom = α0(1 − α1 / α0)−1. The significance of the difference in the self-potential is demonstrated by comparing the results with results from the coupled Hartree–Fock (CHF) method. Method C1/2, which included the intermediate amount of self-potential, gave the best comparison of α0, α0 + α1 and αgeom with αCHF. For the He isoelectronic sequence from Method C1/2, α0 differs from αCHF by 9.71%–2.26%, α0 + α1 differs from αCHF by 1.29%–0.08%, and αgeom differs from αCHF by 0.42%–0.03%. Errors in the Be isoelectronic sequence are larger than those in the He isoelectronic sequence. Explanations in terms of the restricted forms of the Hartree–Fock wavefunction and of the variational first-order orbitals are given. The relative computing times for the CHF method and the perturbed version of Method C1/2 are in the ratio of 5 to 1. It is suggested that for evaluating the physical properties of larger and complicated systems the geometric approximation based on the PUCHF Method C1/2 can replace the CHF method as a simple and accurate method." @default.
• W1963608127 created "2016-06-24" @default.
• W1963608127 creator A5027513949 @default.
• W1963608127 creator A5039131674 @default.
• W1963608127 date "1971-08-01" @default.
• W1963608127 modified "2023-09-26" @default.
• W1963608127 title "Different Perturbed Uncoupled Hartree–Fock (PUCHF) Methods for Physical Properties. I. Theory and Dipole Polarizabilities" @default.
• W1963608127 cites W1613076606 @default.
• W1963608127 cites W1964054887 @default.
• W1963608127 cites W1973078616 @default.
• W1963608127 cites W1973312621 @default.
• W1963608127 cites W1976411647 @default.
• W1963608127 cites W1981020641 @default.
• W1963608127 cites W1981033852 @default.
• W1963608127 cites W2007673664 @default.
• W1963608127 cites W2011079470 @default.
• W1963608127 cites W2037334877 @default.
• W1963608127 cites W2039295041 @default.
• W1963608127 cites W2040233203 @default.
• W1963608127 cites W2056175280 @default.
• W1963608127 cites W2060212575 @default.
• W1963608127 cites W2063860218 @default.
• W1963608127 cites W2071017044 @default.
• W1963608127 cites W2075311803 @default.
• W1963608127 cites W2077499076 @default.
• W1963608127 cites W2079524176 @default.
• W1963608127 cites W2081444457 @default.
• W1963608127 cites W2087939861 @default.
• W1963608127 cites W2095523369 @default.
• W1963608127 cites W2096340551 @default.
• W1963608127 cites W2113803939 @default.
• W1963608127 cites W2119573971 @default.
• W1963608127 cites W2802807686 @default.
• W1963608127 cites W2883197357 @default.
• W1963608127 cites W3038453665 @default.
• W1963608127 cites W4239471481 @default.
• W1963608127 doi "https://doi.org/10.1063/1.1676219" @default.
• W1963608127 hasPublicationYear "1971" @default.
• W1963608127 type Work @default.
• W1963608127 sameAs 1963608127 @default.
• W1963608127 citedByCount "32" @default.
• W1963608127 crossrefType "journal-article" @default.
• W1963608127 hasAuthorship W1963608127A5027513949 @default.
• W1963608127 hasAuthorship W1963608127A5039131674 @default.
• W1963608127 hasConcept C10138342 @default.
• W1963608127 hasConcept C113630233 @default.
• W1963608127 hasConcept C121332964 @default.
• W1963608127 hasConcept C126255220 @default.
• W1963608127 hasConcept C130787639 @default.
• W1963608127 hasConcept C139287275 @default.
• W1963608127 hasConcept C147120987 @default.
• W1963608127 hasConcept C147597530 @default.
• W1963608127 hasConcept C162324750 @default.
• W1963608127 hasConcept C173523689 @default.
• W1963608127 hasConcept C174256460 @default.
• W1963608127 hasConcept C182306322 @default.
• W1963608127 hasConcept C184779094 @default.
• W1963608127 hasConcept C185592680 @default.
• W1963608127 hasConcept C189394030 @default.
• W1963608127 hasConcept C32909587 @default.
• W1963608127 hasConcept C33923547 @default.
• W1963608127 hasConcept C62520636 @default.
• W1963608127 hasConceptScore W1963608127C10138342 @default.
• W1963608127 hasConceptScore W1963608127C113630233 @default.
• W1963608127 hasConceptScore W1963608127C121332964 @default.
• W1963608127 hasConceptScore W1963608127C126255220 @default.
• W1963608127 hasConceptScore W1963608127C130787639 @default.
• W1963608127 hasConceptScore W1963608127C139287275 @default.
• W1963608127 hasConceptScore W1963608127C147120987 @default.
• W1963608127 hasConceptScore W1963608127C147597530 @default.
• W1963608127 hasConceptScore W1963608127C162324750 @default.
• W1963608127 hasConceptScore W1963608127C173523689 @default.
• W1963608127 hasConceptScore W1963608127C174256460 @default.
• W1963608127 hasConceptScore W1963608127C182306322 @default.
• W1963608127 hasConceptScore W1963608127C184779094 @default.
• W1963608127 hasConceptScore W1963608127C185592680 @default.
• W1963608127 hasConceptScore W1963608127C189394030 @default.
• W1963608127 hasConceptScore W1963608127C32909587 @default.
• W1963608127 hasConceptScore W1963608127C33923547 @default.
• W1963608127 hasConceptScore W1963608127C62520636 @default.
• W1963608127 hasIssue "3" @default.
• W1963608127 hasLocation W19636081271 @default.
• W1963608127 hasOpenAccess W1963608127 @default.
• W1963608127 hasPrimaryLocation W19636081271 @default.
• W1963608127 hasRelatedWork W1965059355 @default.
• W1963608127 hasRelatedWork W1967488882 @default.
• W1963608127 hasRelatedWork W1974481954 @default.
• W1963608127 hasRelatedWork W2003019911 @default.
• W1963608127 hasRelatedWork W2033536593 @default.
• W1963608127 hasRelatedWork W2054811419 @default.
• W1963608127 hasRelatedWork W2061683866 @default.
• W1963608127 hasRelatedWork W2078497424 @default.
• W1963608127 hasRelatedWork W2081440436 @default.
• W1963608127 hasRelatedWork W2091162220 @default.
• W1963608127 hasVolume "55" @default.
• W1963608127 isParatext "false" @default.
• W1963608127 isRetracted "false" @default.
• W1963608127 magId "1963608127" @default.

• next