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Volumn 40, Issue 6, 1989, Pages 3979-3995

Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001563650     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.40.3979     Document Type: Article
Times cited : (1416)

References (67)
  • 8
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    • V. Heine, in Solid State Physics, edited by H. Ehrenreich, F. Seitz, and D. Turnbull, (Academic, New York, 1980), Vol. 35, p.1.
  • 18
    • 16444378435 scopus 로고
    • J. Chem. Phys. 18, 365 (1950).
    • (1950) J. Chem. Phys. , vol.18 , pp. 365
  • 36
    • 84927308256 scopus 로고    scopus 로고
    • W. M. C. Foulkes, Ph.D. thesis, University of Cambridge, 1987, and unpublished.
  • 43
    • 84927308255 scopus 로고    scopus 로고
    • R. W. Jansen, Ph.D. thesis, Arizona State University, 1987.
  • 51
    • 84927308254 scopus 로고    scopus 로고
    • The technique works equally well for d5 orbitals.
  • 55
    • 84931507903 scopus 로고
    • Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
    • (1969) Molecular Physics , vol.17 , pp. 197
    • Pulay, P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.