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Volumn 501-502, Issue , 2000, Pages 47-58

Rigorous derivation of the 'xα' exchange potential: A deformation approach

Author keywords

Exchange approximation; Gaspar Slater approximation; High density limit; Thomas Fermi von Weizsacker model; X method

Indexed keywords

ARTICLE; DENSITY; ELECTRON; ENERGY TRANSFER; MATHEMATICAL MODEL; PARTICLE SIZE; SOLID STATE;

EID: 0034725167     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00413-3     Document Type: Article
Times cited : (5)

References (32)
  • 1
    • 84959186380 scopus 로고
    • Note on exchange phenomena in the Thomas-Fermi atom
    • Dirac P.A.M. Note on exchange phenomena in the Thomas-Fermi atom. Proc. Cambridge Phil. Soc. 26:1931;376-385.
    • (1931) Proc. Cambridge Phil. Soc. , vol.26 , pp. 376-385
    • Dirac, P.A.M.1
  • 2
    • 33846410438 scopus 로고
    • A simplification of the Hartree-Fock method
    • Slater J.C. A simplification of the Hartree-Fock method. Phys. Rev. 81:(3):1951;385-390.
    • (1951) Phys. Rev. , vol.81 , Issue.3 , pp. 385-390
    • Slater, J.C.1
  • 3
    • 0000236776 scopus 로고
    • Ueber eine Approximation des Hartree-Fockschen Potentials durch eine universelle Potentialfunktion
    • Gáspár R. Ueber eine Approximation des Hartree-Fockschen Potentials durch eine universelle Potentialfunktion. Acta. Phys. Hung. 3:1954;263-285.
    • (1954) Acta. Phys. Hung. , vol.3 , pp. 263-285
    • Gáspár, R.1
  • 4
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W., Sham L.J. Self-consistent equations including exchange and correlation effects. Phys. Rev. A. 140:1965;1133.
    • (1965) Phys. Rev. a , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 6
    • 0342745528 scopus 로고    scopus 로고
    • Universite Paris IX Dauphine - UFR Mathématiques de la décision
    • C. Le Bris, Habilitation àdiriger des recherchés, Universite Paris IX Dauphine - UFR Mathématiques de la décision, 1997.
    • (1997) Habilitation Àdiriger des Recherchés
    • Le Bris, C.1
  • 7
    • 0033164175 scopus 로고    scopus 로고
    • Approximations de l'energie cinetique en fonction de la densité pour un modele de Coulomb periodique
    • Bokanowski O., Grebert B., Mauser N.J. Approximations de l'energie cinetique en fonction de la densité pour un modele de Coulomb periodique. C. R. Acad. Sci. 329:1999;85-90.
    • (1999) C. R. Acad. Sci. , vol.329 , pp. 85-90
    • Bokanowski, O.1    Grebert, B.2    Mauser, N.J.3
  • 8
    • 0033409439 scopus 로고    scopus 로고
    • Local approximation for the Hartree-Fock exchange potential: A deformation approach
    • Bokanowski O., Mauser N.J. Local approximation for the Hartree-Fock exchange potential: a deformation approach. Math. Models Methods Appl. Sci. 8 (6):1999;941-961.
    • (1999) Math. Models Methods Appl. Sci. , vol.86 , pp. 941-961
    • Bokanowski, O.1    Mauser, N.J.2
  • 9
    • 0030544530 scopus 로고    scopus 로고
    • Deformations of density functions in molecular quantum chemistry
    • Bokanowski O., Grebert B. Deformations of density functions in molecular quantum chemistry. J. Math. Phys. 37:1996;1553-1573.
    • (1996) J. Math. Phys. , vol.37 , pp. 1553-1573
    • Bokanowski, O.1    Grebert, B.2
  • 10
    • 0000931091 scopus 로고    scopus 로고
    • Utilization of deformations in molecular quantum chemistry and application to density-functional theory
    • Bokanowski O., Grebert B. Utilization of deformations in molecular quantum chemistry and application to density-functional theory. Int. J. Quantum Chem. 68:1998;221-231.
    • (1998) Int. J. Quantum Chem. , vol.68 , pp. 221-231
    • Bokanowski, O.1    Grebert, B.2
  • 12
    • 0000596347 scopus 로고
    • Formulation of N- And v-representable density-functional theory. I. Groundstates
    • Kryachko K.S., Ludeña E.V. Formulation of N- and v-representable density-functional theory. I. Groundstates. Phys. Rev. A. 43:1991;2179-2193.
    • (1991) Phys. Rev. a , vol.43 , pp. 2179-2193
    • Kryachko, K.S.1    Ludeña, E.V.2
  • 13
    • 84987112004 scopus 로고
    • Method of local-scaling transformation and DFT in quantum chemistry. Part I
    • 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.
    • (1986) Int. J. Quantum. Chem. , vol.29 , pp. 149-161
    • Petkov, I.1    Stoitsov, M.2    Kryachko, E.3
  • 14
    • 0000368619 scopus 로고
    • The Hartree-Fock theory for Coulomb systems
    • Lieb E.H., Simon B. The Hartree-Fock theory for Coulomb systems. Commun. Math. Phys. 53:1977;185-194.
    • (1977) Commun. Math. Phys. , vol.53 , pp. 185-194
    • Lieb, E.H.1    Simon, B.2
  • 15
    • 0001929193 scopus 로고
    • Solution of Hartree-Fock equations for Coulomb systems
    • Lions P.L. Solution of Hartree-Fock equations for Coulomb systems. Commun. Math. Phys. 109:1987;33-97.
    • (1987) Commun. Math. Phys. , vol.109 , pp. 33-97
    • Lions, P.L.1
  • 17
    • 36149015627 scopus 로고
    • Correlation energy of an electron gas at high density
    • Gell-Mann M., Brueckner K.A. Correlation energy of an electron gas at high density. Phys. Rev. 100:(2):1957;364-368.
    • (1957) Phys. Rev. , vol.100 , Issue.2 , pp. 364-368
    • Gell-Mann, M.1    Brueckner, K.A.2
  • 18
    • 0343180149 scopus 로고
    • Gradient expansion of the coulomb exchange energy
    • Gross E., Dreizler R. Gradient expansion of the coulomb exchange energy. Atoms Nuclei. 302:1981;103-106.
    • (1981) Atoms Nuclei , vol.302 , pp. 103-106
    • Gross, E.1    Dreizler, R.2
  • 19
    • 34249830409 scopus 로고
    • Accuracy of mean field approximations for atoms and molecules
    • Bach V. Accuracy of mean field approximations for atoms and molecules. Commun. Math. Phys. 155:1993;295-310.
    • (1993) Commun. Math. Phys. , vol.155 , pp. 295-310
    • Bach, V.1
  • 21
    • 84962671479 scopus 로고
    • Zur wellenmechanischen Behandlung von Vielkörperproblemen
    • Macke V.W. Zur wellenmechanischen Behandlung von Vielkörperproblemen. Ann. Phys. (Leipzig). 17:1955;1-9.
    • (1955) Ann. Phys. (Leipzig) , vol.17 , pp. 1-9
    • MacKe, V.W.1
  • 22
    • 0000985040 scopus 로고
    • Variational methods based on the density matrix
    • March N.H., Young W.H. Variational methods based on the density matrix. Proc. Phys. Soc. 72:1958;182-192.
    • (1958) Proc. Phys. Soc. , vol.72 , pp. 182-192
    • March, N.H.1    Young, W.H.2
  • 23
    • 84987111603 scopus 로고
    • The role of model systems in the few-body reduction of the N-Fermion problem
    • Percus J.K. The role of model systems in the few-body reduction of the N-Fermion problem. Int. J. Quantum Chem. 13:1978;89-124.
    • (1978) Int. J. Quantum Chem. , vol.13 , pp. 89-124
    • Percus, J.K.1
  • 24
    • 0000406643 scopus 로고
    • On the relation between the Hellmann energy functional and the ground state energy of an N-fermion system
    • Siedentop H.K. On the relation between the Hellmann energy functional and the ground state energy of an N-fermion system. Atoms Nuclei. 302:1981;213-218.
    • (1981) Atoms Nuclei , vol.302 , pp. 213-218
    • Siedentop, H.K.1
  • 25
    • 0012633198 scopus 로고
    • An approximate universal energy functional in density functional theory
    • Ludeña E.V. An approximate universal energy functional in density functional theory. J. Chem. Phys. 79:1983;6174-6181.
    • (1983) J. Chem. Phys. , vol.79 , pp. 6174-6181
    • Ludeña, E.V.1
  • 26
    • 0012766024 scopus 로고    scopus 로고
    • Recent developments in the local-scaling transformation version of density functional theory
    • Ludeña E.V., et al. Recent developments in the local-scaling transformation version of density functional theory. Adv. Quantum Chem. 33:1999;49.
    • (1999) Adv. Quantum Chem. , vol.33 , pp. 49
    • Ludeña, E.V.1
  • 28
    • 0032138130 scopus 로고    scopus 로고
    • Sur la limite thermodynamique pour les modèles de type Hartree et Hartree-Fock
    • 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. 327:1998;259-266.
    • (1998) C.R. Acad. Sci. , vol.327 , pp. 259-266
    • Catto, I.1    Le Bris, C.2    Lions, P.L.3
  • 29
    • 33846040104 scopus 로고
    • The Thomas-Fermi theory of atoms, molecules and solids
    • Lieb E.H., Simon B. The Thomas-Fermi theory of atoms, molecules and solids. Adv. Math. 23:1977;22-116.
    • (1977) Adv. Math. , vol.23 , pp. 22-116
    • Lieb, E.H.1    Simon, B.2
  • 30
    • 0032092536 scopus 로고    scopus 로고
    • N-Representability and density-functional construction in curvilinear coordinates
    • De Santis L., Resta R. N-Representability and density-functional construction in curvilinear coordinates. Solid State Commun. 106:1998;763.
    • (1998) Solid State Commun. , vol.106 , pp. 763
    • De Santis, L.1    Resta, R.2
  • 31
    • 0030487547 scopus 로고    scopus 로고
    • A decomposition theorem for wave functions in molecular quantum chemistry
    • Bokanowski O., Grebert B. A decomposition theorem for wave functions in molecular quantum chemistry. Math. Models Methods Appl. Sci. 6:1996;437-466.
    • (1996) Math. Models Methods Appl. Sci. , vol.6 , pp. 437-466
    • Bokanowski, O.1    Grebert, B.2
  • 32
    • 84886764942 scopus 로고
    • On the periodic fundamental solution of the stokes equations
    • Hasimoto H. On the periodic fundamental solution of the stokes equations. J. Fluid Dynam. 5:1959;317-328.
    • (1959) J. Fluid Dynam. , vol.5 , pp. 317-328
    • Hasimoto, H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.