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Volumn 103, Issue 1, 1995, Pages 227-233

Application of a distributed nucleus approximation in grid based minimization of the Kohn-Sham energy functional

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Indexed keywords


EID: 0000767995     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.469636     Document Type: Article
Times cited : (26)

References (37)
  • 27
    • 85034928623 scopus 로고
    • This work was first presented at the annual ACS meeting in Washington D.C. in August
    • (1994)
  • 36
    • 85034918345 scopus 로고    scopus 로고
    • Our calculation with the modified VWN potential (exchange only) yielded a total energy of [formula omitted] hartree, which compares to [formula omitted] hartree for the full potential. Perdew and Zunger find a difference of 0.731 hartree for a similar analysis


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.