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Volumn 57, Issue 4, 1998, Pages 2134-2145

Pseudopotential study of binding properties of solids within generalized gradient approximations: The role of core-valence exchange correlation

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EID: 0000307223     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.2134     Document Type: Article
Times cited : (200)

References (71)
  • 38
    • 0001077864 scopus 로고
    • Y.-M. Juan and E. Kaxiras, Phys. Rev. B 48, 14 944 (1993).
    • (1993) Phys. Rev. B , vol.48 , pp. 14944
    • Kaxiras, E.1
  • 60
    • 5844306937 scopus 로고
    • Repeating our calculations for Al, Si, and Ge with Hamann-type pseudopotentials [D. R. Hamann, Phys. Rev. B 40, 2980 (1989)], we have not found significant changes in the differences between the LDA and GGA results. Within either XC scheme changes amounted to (Formula presented)1% for lattice constants, (Formula presented)3% for the bulk moduli, and (Formula presented)0.1 eV for the binding energies.
    • (1989) Phys. Rev. B , vol.40 , pp. 2980
    • Hamann, D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.