메뉴 건너뛰기




Volumn 44, Issue 26 S, 1992, Pages 879-894

The ACES II program system

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84990669584     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.560440876     Document Type: Article
Times cited : (560)

References (59)
  • 5
    • 84990631437 scopus 로고    scopus 로고
    • ACES II uses modified versions of the MOLECULE vectorized GAUSSIAN integral program and the ABACUS program for evaluation of integral derivatives. The authors of these programs are:, (MOLECULE)
    • Almlöf, J.1    Taylor, P.R.2
  • 19
    • 26444507215 scopus 로고
    • The literature on analytic gradients in MBPT/CC methods is far too extensive to list here. The implementation of these methods in ACES it mostly follows the general Mart/CC gradient formalism presented by
    • (1989) J. Chem. Phys. , vol.90 , pp. 1752
    • Salter, E.A.1    Trucks, G.W.2    Bartlett, R.J.3
  • 20
    • 0042691249 scopus 로고
    • The detailed spin‐orbital equations used in the implementation as well as the computational strategy are described in Ref. [6]. These articles also give the original literature references for most of the methods which are implemented in ACES II. Exceptions are as follows
    • (1991) J. Chem. Phys. , vol.94 , pp. 442
    • Scuseria, G.1
  • 35
    • 84990693262 scopus 로고    scopus 로고
    • Property calculations utilize the PROPS integral program, which was originally part of the POLYATOM program. The version used in ACES n is a slightly modified version of PROPS which has been interfaced to the MOLECULE‐SWEDEN package by
    • Taylor, P.R.1
  • 40
    • 84990699346 scopus 로고
    • Excellent reviews of the Fock‐space coupled‐cluster method may be found in Theoret. Chim. Acta, 6(4)
    • (1992)
  • 52
    • 36448999564 scopus 로고
    • 2, C 2−, C 2+)
    • (1992) J. Chem. Phys. , vol.96 , pp. 6073


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.