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Physical Review A
Volumn 44, Issue 3, 1991, Pages 1549-1553
Density-functional formalism and the two-body problem
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[No Author keywords available]
Indexed keywords

EID: 3943050493     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevA.44.1549     Document Type: Article
Times cited : (87)
References (19)
  • 1
    • 84927300121 scopus 로고    scopus 로고
    • F. Moscardo´ and E. San-Fabia´n, Int. J. Quantum Chem. (to be published).
  • 4
    • 84927300120 scopus 로고    scopus 로고
    • Here, the correlation energy is defined as the difference between the exact nonrelativistic energy, minus the energy calculated by using the wave function from which the one- and two-body densities are built.
  • 5
    • 84927300119 scopus 로고    scopus 로고
    • In evaluating Eqs. (3) some complex values have been detected; however, this is not a serious problem from the point of view of the results. In fact, for all these situations, we have verified that the results of taking the absolute value with the square brackets in these equations differ in less than 0.1 mhartrees from those obtained by ignoring its contribution to Eqs. (3). For functionals not dependent on the spin-polarized components of the density, such as the Gombas' functional, the transformation used is ρ prime ( R vec ) = [ 2 ρ20( R vec ) ]1/2.
  • 16
    • 84927300117 scopus 로고    scopus 로고
    • F. W. Bobrowicz and W. A. Goddard III, in Modern Theoretical Chemistry, edited by H. F. Schaefer III (Plenum, New York, 1977), Chap. 2, Vol. 3.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.