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Nuclear isotope shifts within the local energy-density functional approach

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


Book ID
108441942
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
692 KB
Volume
676
Category
Article
ISSN
0375-9474

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Fractional occupation numbers and densit
โœ R.W. Warren; B.I. Dunlap ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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