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Isotope shifts within the energy-density functional approach with density dependent pairing

✍ Scribed by S.A. Fayans; S.V. Tolokonnikov; E.L. Trykov; D. Zawischa


Book ID
118408444
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
357 KB
Volume
338
Category
Article
ISSN
0370-2693

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Fractional occupation numbers and densit
✍ R.W. Warren; B.I. Dunlap πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 476 KB

Gradients of the total energy with respect to nuclear displacements using fractionally occupied orbitals within a linear combination of Gaussian-type orbitals density-functional theoretical approach are discussed. Expressions for the gradient in the fractional occupation number solution as well as f