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Volumn 105, Issue 9, 2007, Pages 1139-1155

The group 12 metal chalcogenides: An accurate multireference configuration interaction and coupled cluster study

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; DIPOLE MOMENT; DISSOCIATION; ELECTRONIC STATES; MOLECULAR INTERACTIONS; MOLECULAR ORIENTATION; POTENTIAL ENERGY;

EID: 34347232002     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701241664     Document Type: Article
Times cited : (53)

References (71)
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    • H. Lischka, R. Shepard, I. Shavitt, R. M. Pitzer, M. Dallos, Th. Müller, P. G. Szalay, F. B. Brown, R. Ahlrichs, H. J. Böhm, A. Chang, D. C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Höchtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M. J. M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schüler, M. Seth, E. A. Stahlberg, J.-G. Zhao, S. Yabushita, and Z. Zhang, COLUMBUS, an ab initio electronic structure program, release 5.8 2001
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    • Exponents added to the aug-cc-pVTZ-PP basis sets of Se, Te, and Po to obtain aug-cc-pwCVTZ-PP basis sets were: s,6.5147,1.3431; p,9.0619,1.7860; d,3.6477,1.5793; f,7.3568,1.8882; g,2.2145 for Se, s, 1.9752,1.2390; p,4.7811,1.2395; d, 1.9799,1.0020; f,4.4765,1.2436; g,1.3881 for Te, and 8,1.7157,1.0762; p,2.3166,1.3772; d,3.0977,0.8393; f,2.4927,0.9331; g,1.1158 for Po.
    • Exponents added to the aug-cc-pVTZ-PP basis sets of Se, Te, and Po to obtain aug-cc-pwCVTZ-PP basis sets were: s,6.5147,1.3431; p,9.0619,1.7860; d,3.6477,1.5793; f,7.3568,1.8882; g,2.2145 for Se, s, 1.9752,1.2390; p,4.7811,1.2395; d, 1.9799,1.0020; f,4.4765,1.2436; g,1.3881 for Te, and 8,1.7157,1.0762; p,2.3166,1.3772; d,3.0977,0.8393; f,2.4927,0.9331; g,1.1158 for Po.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.