Local density approximations for the kinetic energy of a periodic Coulomb model

Comptes Rendus de l'Academie des Sciences - Series I: Mathematics

Volumn 329, Issue 1, 1999, Pages 85-90

  Bokanowski, Olivier ^a,d   Grebert, Benoît ^b,d   Mauser, Norbert J ^c,d  

^a UNIVERSITÉ PARIS DESCARTES   (France)

^b UNIVERSITÉ DE NANTES   (France)

^c NEW YORK UNIVERSITY   (United States)

^d UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0033164175     PISSN: 07644442     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0764-4442(99)80467-4     Document Type: Article

References (15)

1. Bokanowski O., Grébert B., A decomposition theorem for wave functions in molecular quantum chemistry, Math. Models & Methods Appl. Sci. 6 (1996) 437-466.
2. Bokanowski O., Grébert B., Utilization of deformations in molecular quantum chemistry and application to density-functional theory, Int. J. Quantum Chem. 68 (1998) 221-231.
3. Bokanowski O., Mauser N.J., Grébert B., (travail en cours).
4. Bokanowski O., Mauser N.J., Local approximation for the Hartree-Fock exchange potential: A deformation approach, Math. Models & Methods Appl. Sci. (to appear).
5. Catto I., Le Bris C., Lions P.-L., Limite thermodynamique pour les modèles de type Thomas-Fermi, C. R. Acad. Sci. Paris 322 Série I (1996) 357-364.
6. Catto I., Le Bris C., Lions P.-L., Sur la limite thermodynamique pour les modèles de type Hartree et Hartree-Fock, C. R. Acad. Sci. Paris 327 Série I (1998) 259-266.
7. Dacorogna B., Moser J., On a partial differential equation involving the Jacobian determinant, Ann. Inst. H.-Poincaré, Analyse non Linéaire 7 (1990) 1-26.
8. Lieb E.H., Density functional for Coulomb systems, Int. J. Quantum Chem. 24 (1983) 243.
9. Lieb E.H., Simon B., The Thomas-Fermi theory of atoms, molecules and solids, Adv. Math. 23 (1977) 22-116.
10. Lieb E.H., Thomas-Fermi and related theory of atoms and molecules, Rev. Mod Phys. 53 (1981) 603-641.
11. March N.H., Young W.H., Variational methods based on the density matrix, Proc. Phys. Soc. 72 (1958) 182-192.
12. Petkov I., Stoitsov M., Kryachko E., Method of local-scaling transformation and DFT in quantum chemistry, part I, Int. J. Quantum. Chem. 29 (1986) 149-161.
13. De Santis, Resta R., Solid State Commun. 106 (1998) 763.
14. Slater J.C., A simplification of the Hartree-Fock method, Phys. Rev. 81 (3) (1951) 385-390.
15. Dong Yé, Prescribing the Jacobian determinant in Sobolev spaces, Ann. Inst. H.-Poincaré, Analyse non Linéaire 11 (3) (1994) 275-296.