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Volumn 125, Issue 14, 2006, Pages

The lowest singlet-triplet excitation energy of BN: A converged coupled cluster perspective

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGY; INNER-SHELL CORRELATIONS; SINGLET-TRIPLET EXCITATION ENERGY;

EID: 33750024507     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2352752     Document Type: Article
Times cited : (42)

References (27)
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    • K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(89)87395-6 157, 479 (1989); J. D. Watts, J. Gauss, and R. J. Bartlett, J. Chem. Phys. 98, 8718 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 8718
    • Watts, J.D.1    Gauss, J.2    Bartlett, R.J.3
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    • 0021-9606 10.1063/1.452353
    • J. Noga and R. J. Bartlett, J. Chem. Phys. 0021-9606 10.1063/1.452353 86, 7041 (1987); J. Noga and R. J. Bartlett, J. Chem. Phys. 89, 3401 (E) (1988).
    • (1987) J. Chem. Phys. , vol.86 , pp. 7041
    • Noga, J.1    Bartlett, R.J.2
  • 10
    • 36549092221 scopus 로고
    • J. Noga and R. J. Bartlett, J. Chem. Phys. 0021-9606 10.1063/1.452353 86, 7041 (1987); J. Noga and R. J. Bartlett, J. Chem. Phys. 89, 3401 (E) (1988).
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    • Noga, J.1    Bartlett, R.J.2
  • 17
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    • M. Kállay, MRCC, a string-based general coupled cluster program suite. See also M. Kállay and P. R. Surján, J. Chem. Phys. 115, 2945 (2001), as well as http://www.mrcc.hu.
    • Kállay, M.1
  • 18
    • 0035880942 scopus 로고    scopus 로고
    • M. Kállay, MRCC, a string-based general coupled cluster program suite. See also M. Kállay and P. R. Surján, J. Chem. Phys. 115, 2945 (2001), as well as http://www.mrcc.hu.
    • (2001) J. Chem. Phys. , vol.115 , pp. 2945
    • Kállay, M.1    Surján, P.R.2
  • 19
    • 33750031872 scopus 로고    scopus 로고
    • J. F. Stanton, J. Gauss, J. D. Watts, ACES II (Austin-Mainz-Budapest version), is an electronic structure program system.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.