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Volumn 5, Issue 11, 2009, Pages 2985-2995

Coupled-perturbed scheme for the calculation of electronic g-tensors with local hybrid functionals

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EID: 73949150343     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct900392e     Document Type: Article
Times cited : (13)

References (96)
  • 1
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    • See e.g.,Theory and Applications; Kaupp, M., Bühl, M., Malkin, V. G., Eds.; Wiley-VCH: Weinheim, Germany, and references therein
    • See e.g., In Calculation of NMR and EPR Parameters. Theory and Applications; Kaupp, M., Bühl, M., Malkin, V. G., Eds.; Wiley-VCH: Weinheim, Germany, 2004; and references therein.
    • (2004) Calculation of NMR and EPR Parameters
  • 27
    • 73949112290 scopus 로고    scopus 로고
    • Doren, V., van Alsenoy, C., Geerlings, P., Eds.; AIP: Melville, NY
    • Doren, V., van Alsenoy, C., Geerlings, P., Eds.; AIP: Melville, NY, 2001; Vol. 577, pp 1-20.
    • (2001) , vol.577 , pp. 1-20
  • 63
    • 0003898752 scopus 로고    scopus 로고
    • The AMFI code used is due to: Schimmelpfennig, B; Stockholms Unviersitet: Sweden
    • The AMFI code used is due to: Schimmelpfennig, B. Atomic Spin-Orbit Meanfield Integral Program; Stockholms Unviersitet: Sweden; 1996.
    • (1996) Atomic Spin-Orbit Meanfield Integral Program
  • 65
    • 0035935884 scopus 로고    scopus 로고
    • 2002 116 3502
    • Jensen, F. J. Chem. Phys. 2001, 115, 9113. 2002, 116, 3502.
    • (2001) J. Chem. Phys. , vol.115 , pp. 9113
    • Jensen, F.1
  • 72
    • 73949131227 scopus 로고    scopus 로고
    • accessed September
    • Fægri K. http://folk.uio.no/knutf/bases/one; accessed September 2003.
    • (2003)
    • Fægri, K.1
  • 74
    • 73949096091 scopus 로고
    • Kutzelnigg, W.; Fleischer, U.; Schindler, M. NMR - Basic Principles and Progress; Diehl, P., Fluck, E., Günther, H., Kosfeld, R., Eds, and references therein
    • Kutzelnigg, W.; Fleischer, U.; Schindler, M. NMR - Basic Principles and Progress; Diehl, P., Fluck, E., Günther, H., Kosfeld, R., Eds.; Springer: Heidelberg, Germany, 1990; Vol. 23, pp 165-262.; and references therein.
    • (1990) Springer: Heidelberg, Germany , vol.23 , pp. 165-262
  • 77
    • 73949106993 scopus 로고    scopus 로고
    • note
    • In contrast to Becke's original "half-and-half" functional (ref 1), where 50% of the exact exchange is mixed with the same amount of the LSDA exchange, the latter is replaced by B88 GGA exchange (ref 8) in BHPW91 and BHLYP


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.