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Volumn 68, Issue 3, 2003, Pages 554-586

Externally corrected coupled-cluster approaches: Energy versus amplitude corrected CCSD

Author keywords

Ab initio calculations; Coupled cluster methods; HF; LiH; Multireference configuration interaction; Ro vibrational spectra

Indexed keywords

AB INITIO CALCULATION; AMPLITUDE MODULATION; ARTICLE; CLUSTER ANALYSIS; ENERGY; EVALUATION; SPECTROSCOPY; SPIKE WAVE; VIBRATION;

EID: 0037954606     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc20030554     Document Type: Article
Times cited : (22)

References (92)
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    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, U.S.A., and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under the contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
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    • LeRoy R. J.: LEVEL 7.4, A Computer Program Solving the Radial Schrödinger Equation for Bound and Quasibound Levels, and Calculating Various Expectation Values and Matrix Elements. Chemical Physics Research Report CP-642R, University of Waterloo 2001.
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    • LeRoy, R.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.