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Volumn 134, Issue 12, 2011, Pages

A fully simultaneously optimizing genetic approach to the highly excited coupled-cluster factorization problem

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMMON FACTORS; COUPLED CLUSTERS; EXCITATION LEVELS; GENETIC APPROACH; LOWER BOUNDS; OPEN-SHELL; SINGLE-STEP; TIME STRATEGY;

EID: 79953323289     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3561739     Document Type: Article
Times cited : (31)

References (31)
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  • 11
    • 0037085854 scopus 로고    scopus 로고
    • Formulation and implementation of the full coupled-cluster method through pentuple excitations
    • DOI 10.1063/1.1445744
    • M. Musial, S. Kucharski, and R. Bartlett, J. Chem. Phys. 116, 4382 (2002). 10.1063/1.1445744 (Pubitemid 34405134)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.11 , pp. 4382-4388
    • Musial, M.1    Kucharski, S.A.2    Bartlett, R.J.3
  • 13
    • 0035880942 scopus 로고    scopus 로고
    • Higher excitations in coupled-cluster theory
    • DOI 10.1063/1.1383290
    • M. Kllay and P. R. Surjn, J. Chem. Phys. 115, 2945 (2001). 10.1063/1.1383290 (Pubitemid 32796736)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.7 , pp. 2945-2954
    • Kallay, M.1    Surjan, P.R.2
  • 15
    • 0345566357 scopus 로고    scopus 로고
    • 10.1021/jp034596z
    • S. Hirata, J. Phys. Chem. A 107, 9887 (2003). 10.1021/jp034596z
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    • Hirata, S.1
  • 21
    • 79953308018 scopus 로고    scopus 로고
    • Eliminating redundancy in the application of Wicks theorem
    • (to be published)
    • M. Hanrath, Eliminating redundancy in the application of Wicks theorem., J. Chem. Phys. (to be published).
    • J. Chem. Phys.
    • Hanrath, M.1
  • 22
    • 79953305977 scopus 로고    scopus 로고
    • Simplification of expressions of antisymmetric tensor products by topological methods
    • (to be published)
    • M. Hanrath and A. Engels-Putzka, Simplification of expressions of antisymmetric tensor products by topological methods., J. Chem. Phys. (to be published).
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    • Hanrath, M.1    Engels-Putzka, A.2
  • 24
    • 79953300016 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-134-022109 for the CCSD problem
    • See supplementary material at http://dx.doi.org/10.1063/1.3561739 E-JCPSA6-134-022109 for the CCSD problem.
  • 29
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    • MOLPRO, a package of ab initio programs designed by, version 2006, (University of Birmingham)
    • MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2006, H.-J. Werner, P. J. Knowles, R. Lindh, Tech. Rep. (University of Birmingham, 2006).
    • (2006) Tech. Rep.
    • Werner, H.-J.1    Knowles, P.J.2    Werner, H.-J.3    Knowles, P.J.4    Lindh, R.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.