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Volumn 88, Issue 5, 2002, Pages 4-

Ab Initio Evaluation of the Charge Ordering in [Formula presented]

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[No Author keywords available]

Indexed keywords


EID: 85038275641     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.88.056405     Document Type: Article
Times cited : (4)

References (26)
  • 15
    • 0001564826 scopus 로고
    • The innercore electrons (Formula presented) for the (Formula presented) atoms and (Formula presented) for the (Formula presented) are represented by effective core potentials (ECP). The outer-core and valence electrons are represented using a (Formula presented), (Formula presented), (Formula presented) contracted basis set for the V and a (Formula presented) basis set for the O atoms. Exact expressions of the basis sets and ECP can be found in Z. Barandiarán and L. Seijo, Can. J. Chem. 70, 409 (1992).
    • (1992) Can. J. Chem. , vol.70 , pp. 409
    • Barandiarán, Z.1    Seijo, L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.