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Volumn 57, Issue 8, 1998, Pages 4327-4331

Ground-state properties of heavy alkali halides

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EID: 0005715391     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.4327     Document Type: Article
Times cited : (44)

References (19)
  • 9
    • 0011006010 scopus 로고
    • After localization, we performed a rotation within the group of orbitals to be correlated. Pseudocanonical orbitals are obtained, and the Fock matrix becomes diagonal in that block. This way, we overcame the problem that the triples within CCSD(T) are only exact for orbitals for which the Fock matrix is diagonal, [see also M.J.O. Deegan and P. J. Knowles, Chem. Phys. Lett. 227, 321 (1994)].
    • (1994) Chem. Phys. Lett. , vol.227 , pp. 321
    • Deegan, M.1    Knowles, P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.