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Volumn 60, Issue 3, 1996, Pages 767-778

A comparison of Hartree-Fock, MP2, and DFT results for the HCN dimer and crystal

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EID: 0001323219     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1996)60:3<767::aid-qua5>3.0.co;2-v     Document Type: Review
Times cited : (24)

References (32)
  • 10
    • 0003989823 scopus 로고    scopus 로고
    • Theoretical Chemistry Group, University of Turin, and SERC Daresbury Laboratory
    • R. Dovesi, C. Pisani, C. Roetti, M. Causà, and V. R. Saunders, CRYSTAL92. An Ab Initio All-Electron LCAO-Hartree-Fock Program for Periodic Systems, QCPE No. 577 (Indiana University, Bloomington, IN, 1992); R. Dovesi, C. Pisani, and C. Roetti, Crystal92 User Manual (Theoretical Chemistry Group, University of Turin, and SERC Daresbury Laboratory).
    • Crystal92 User Manual
    • Dovesi, R.1    Pisani, C.2    Roetti, C.3
  • 14
    • 33645898818 scopus 로고
    • J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1991). J. P. Perdew, J. A. Chevary, S. H. Vosko, M. R. Pederson, K. J. Singh, and C. Fiolhasis, Phys. Rev. B 46, 6671 (1992).
    • (1991) Phys. Rev. B , vol.45 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.