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Volumn 57, Issue 19, 1998, Pages 11834-11837

Gaussian-basis LDA and GGA calculations for alkali-metal equations of state

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EID: 0001162812     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.11834     Document Type: Article
Times cited : (42)

References (32)
  • 5
  • 13
    • 0001470765 scopus 로고
    • (unpublished); detailed information on the basis sets used in the present calculation will be furnished on request
    • N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70, 560 (1992), and (unpublished); detailed information on the basis sets used in the present calculation will be furnished on request.
    • (1992) Can. J. Chem. , vol.70 , pp. 560
    • Godbout, N.1    Salahub, D.2    Andzelm, J.3    Wimmer, E.4
  • 20
    • 0039501216 scopus 로고
    • Phys. Rev. BThis LCGTO LDA calculation is an improved version of an earlier one by J. Callaway, X. Zou, and D. Bagayoko, 27, 631 (1983) and is similar in several respects to ours. Note, though, that Li is relatively less free-electron-like than Na and K. We have included the zero-point energy (Ref. 12) in the cited cohesive energy.
    • (1983) , vol.27 , pp. 631
    • Callaway, J.1    Zou, X.2    Bagayoko, D.3
  • 22
    • 18144378706 scopus 로고
    • Phys. Rev. Bsee J. P. Perdew and Y. Wang, 33, 8800 (1986).
    • (1986) , vol.33 , pp. 8800
    • Perdew, J.1    Wang, Y.2
  • 23
  • 31
    • 0003754095 scopus 로고
    • J. P. Perdew, in Electronic Structure of Solids ’91, edited by P. Ziesche and H. Eschrig (Akademie, Berlin, 1991). This is the GGA functional used for the results we cite from Ref. 16 above.
    • (1991) Electronic Structure of Solids ’91
    • Perdew, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.