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Volumn 72, Issue 7 SUPPL., 1998, Pages 1540-1550

Periodic hartree-fock studies on (HCl)∞ chain

Author keywords

ab initio; Band structure; Density of states; Diffuse functions; Hydrogen chloride; Periodic Hartree Fock; Proton transfer

Indexed keywords


EID: 0041858101     PISSN: 01375083     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (2)

References (29)
  • 24
    • 0042756087 scopus 로고    scopus 로고
    • note
    • The d- and p- polarisation function exponents are equal to 1.2 and 0.4, respectively, and they were taken as a mean value of the exponents reported in Ref. 23.
  • 26
    • 0042756086 scopus 로고    scopus 로고
    • note
    • The exponent of the diffuse functions was assumed to be 0.04.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.