Matches in SemOpenAlex for { <https://semopenalex.org/work/W4240998121> ?p ?o ?g. }
- W4240998121 endingPage "12483" @default.
- W4240998121 startingPage "12473" @default.
- W4240998121 abstract "A computational scheme is proposed for the evaluation of the Hartree-Fock (HF) exchange-energy contributions to the electronic band energies of one-dimensional (1D) periodic systems. The scheme is designed to cope with extremely slowly convergent exchange-energy lattice sums in metallic 1D systems. It is based on a multipole expansion of two-electron integrals, and makes use of the universal 1D lattice sums introduced in a previous paper [L. Z. Stolarczyk, M. Jeziorska, and H. J. Monkhorst, Phys. Rev. B 37, 10 646 (1988)]. The method is presented in a form that is suitable for ab initio linear combination of atomic orbitals crystal-orbital self-consistent-field calculations for infinite polymers. Its simplified version based on the Pariser-Parr-Pople model of ensuremath{pi}-electron polymers is also given. Test calculations performed for ensuremath{pi}-electron polymers with two identical atoms in the unit cell show that the proposed computational scheme is effective and provides very accurate values of the exchange contributions to band energies." @default.
- W4240998121 created "2022-05-12" @default.
- W4240998121 creator A5052459169 @default.
- W4240998121 creator A5053730815 @default.
- W4240998121 creator A5062970730 @default.
- W4240998121 creator A5082036603 @default.
- W4240998121 date "1990-06-15" @default.
- W4240998121 modified "2023-10-16" @default.
- W4240998121 title "Exact Hartree-Fock exchange in one-dimensional metals. II" @default.
- W4240998121 cites W1869060365 @default.
- W4240998121 cites W1963561050 @default.
- W4240998121 cites W1964280111 @default.
- W4240998121 cites W1967482220 @default.
- W4240998121 cites W1976744905 @default.
- W4240998121 cites W1977440586 @default.
- W4240998121 cites W1980780902 @default.
- W4240998121 cites W1983523064 @default.
- W4240998121 cites W1983544275 @default.
- W4240998121 cites W1985701409 @default.
- W4240998121 cites W1994156968 @default.
- W4240998121 cites W2006416590 @default.
- W4240998121 cites W2009812924 @default.
- W4240998121 cites W2011079470 @default.
- W4240998121 cites W2011988199 @default.
- W4240998121 cites W2014003741 @default.
- W4240998121 cites W2016227906 @default.
- W4240998121 cites W2017195709 @default.
- W4240998121 cites W2029887290 @default.
- W4240998121 cites W2032022570 @default.
- W4240998121 cites W2032056270 @default.
- W4240998121 cites W2033230568 @default.
- W4240998121 cites W2039152239 @default.
- W4240998121 cites W2045470807 @default.
- W4240998121 cites W2050997427 @default.
- W4240998121 cites W2058992072 @default.
- W4240998121 cites W2059066793 @default.
- W4240998121 cites W2059700291 @default.
- W4240998121 cites W2060577429 @default.
- W4240998121 cites W2065067501 @default.
- W4240998121 cites W2065973346 @default.
- W4240998121 cites W2075744311 @default.
- W4240998121 cites W2077044970 @default.
- W4240998121 cites W2079173967 @default.
- W4240998121 cites W2080194494 @default.
- W4240998121 cites W2087986551 @default.
- W4240998121 cites W2089651126 @default.
- W4240998121 cites W2091828981 @default.
- W4240998121 cites W2104537159 @default.
- W4240998121 cites W2109931506 @default.
- W4240998121 cites W2110358940 @default.
- W4240998121 cites W2149615646 @default.
- W4240998121 cites W2153560350 @default.
- W4240998121 cites W4242892478 @default.
- W4240998121 doi "https://doi.org/10.1103/physrevb.41.12473" @default.
- W4240998121 hasPublicationYear "1990" @default.
- W4240998121 type Work @default.
- W4240998121 citedByCount "11" @default.
- W4240998121 crossrefType "journal-article" @default.
- W4240998121 hasAuthorship W4240998121A5052459169 @default.
- W4240998121 hasAuthorship W4240998121A5053730815 @default.
- W4240998121 hasAuthorship W4240998121A5062970730 @default.
- W4240998121 hasAuthorship W4240998121A5082036603 @default.
- W4240998121 hasConcept C113630233 @default.
- W4240998121 hasConcept C121332964 @default.
- W4240998121 hasConcept C125469278 @default.
- W4240998121 hasConcept C147120987 @default.
- W4240998121 hasConcept C174771821 @default.
- W4240998121 hasConcept C189394030 @default.
- W4240998121 hasConcept C24890656 @default.
- W4240998121 hasConcept C2781204021 @default.
- W4240998121 hasConcept C2781442258 @default.
- W4240998121 hasConcept C52765159 @default.
- W4240998121 hasConcept C62520636 @default.
- W4240998121 hasConcept C82217956 @default.
- W4240998121 hasConceptScore W4240998121C113630233 @default.
- W4240998121 hasConceptScore W4240998121C121332964 @default.
- W4240998121 hasConceptScore W4240998121C125469278 @default.
- W4240998121 hasConceptScore W4240998121C147120987 @default.
- W4240998121 hasConceptScore W4240998121C174771821 @default.
- W4240998121 hasConceptScore W4240998121C189394030 @default.
- W4240998121 hasConceptScore W4240998121C24890656 @default.
- W4240998121 hasConceptScore W4240998121C2781204021 @default.
- W4240998121 hasConceptScore W4240998121C2781442258 @default.
- W4240998121 hasConceptScore W4240998121C52765159 @default.
- W4240998121 hasConceptScore W4240998121C62520636 @default.
- W4240998121 hasConceptScore W4240998121C82217956 @default.
- W4240998121 hasIssue "18" @default.
- W4240998121 hasLocation W42409981211 @default.
- W4240998121 hasOpenAccess W4240998121 @default.
- W4240998121 hasPrimaryLocation W42409981211 @default.
- W4240998121 hasRelatedWork W1996025640 @default.
- W4240998121 hasRelatedWork W1996163073 @default.
- W4240998121 hasRelatedWork W2007648151 @default.
- W4240998121 hasRelatedWork W2039078732 @default.
- W4240998121 hasRelatedWork W2169534113 @default.
- W4240998121 hasRelatedWork W2438609427 @default.
- W4240998121 hasRelatedWork W3099126059 @default.
- W4240998121 hasRelatedWork W3101121538 @default.