Electric-field gradient calculations for
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Tse-Ming Ho; Tse-Chiang Chang
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Article
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1996
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John Wiley and Sons
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English
β 359 KB
Restricted open-shell Hartree-Fock and unrestricted Hartree-Fock calculations of the electric-field gradient in atoms B, N, 0, Al, S, and C1 were performed by relieving the spherical symmetric constraint. The Sternheimer's core polarization effect is then automatically taken into account. The orbita