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Volumn 58, Issue 5, 1998, Pages 3578-3581

Pseudopotentials from orbital-dependent exchange-correlation functionals

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Indexed keywords


EID: 0343873261     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.58.3578     Document Type: Article
Times cited : (13)

References (26)
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    • Note that the atomic (Formula presented) obtained from GGA’s also misrepresent the corresponding exact results—see C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994).PLRAAN
    • (1994) Phys. Rev. A , vol.50 , pp. 3827
    • Umrigar, C.J.1    Gonze, X.2
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    • Phys. Rev. AE. Engel et al, 58, 964 (1998).
    • (1998) , vol.58 , pp. 964
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    • 85037198947 scopus 로고    scopus 로고
    • The situation is more complicated, however, as soon as nonlinear core corrections are introduced
    • The situation is more complicated, however, as soon as nonlinear core corrections are introduced.
  • 22
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    • PRBMDO
    • E. Engel et al, Phys. Rev. B 48, 1862 (1993).PRBMDO
    • (1993) Phys. Rev. B , vol.48 , pp. 1862
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    • Although we have demonstrated the insensitivity of OPM-PP’s to the atomic reference configuration for alkali atoms, minor improvements still seem to be possible by a refinement of this input to the construction of OPM-PP’s
    • Although we have demonstrated the insensitivity of OPM-PP’s to the atomic reference configuration for alkali atoms, minor improvements still seem to be possible by a refinement of this input to the construction of OPM-PP’s.
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    • MOPHAM
    • M. Dolg, Mol. Phys. 88, 1645 (1996).MOPHAM
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