General hybrid density functional theory.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 497, doi. 10.1002/(SICI)1097-461X(1998)69:4<497::AID-QUA6>3.0.CO;2-Q
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Works matching IS 00207608 AND DT 1998 AND VI 69 AND IP 4
Results: 20
1
2
Analysis of density functionals and their density tails in H<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 541, doi. 10.1002/(SICI)1097-461X(1998)69:4<541::AID-QUA11>3.0.CO;2-2
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3
Density functional theory in relation to x-ray and neutron scattering experiments.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 551, doi. 10.1002/(SICI)1097-461X(1998)69:4<551::AID-QUA12>3.0.CO;2-2
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4
Virtual space level shifting and correlation energies.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 581, doi. 10.1002/(SICI)1097-461X(1998)69:4<581::AID-QUA16>3.0.CO;2-2
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5
Fukutome symmetry classification of the Kohn-Sham auxiliary one-matrix and its associated state or ensemble.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 451, doi. 10.1002/(SICI)1097-461X(1998)69:4<451::AID-QUA2>3.0.CO;2-U
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6
Rigorous formulation of a Kohn and Sham theory for states with special symmetries.
- Published in:
- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 461, doi. 10.1002/(SICI)1097-461X(1998)69:4<461::AID-QUA3>3.0.CO;2-T
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7
Atomic kinetic- and exchange-energy functionals by means of local-scaling transformations.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 503, doi. 10.1002/(SICI)1097-461X(1998)69:4<503::AID-QUA7>3.0.CO;2-Z
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8
Overcomplete density functional description.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 573, doi. 10.1002/(SICI)1097-461X(1998)69:4<573::AID-QUA15>3.0.CO;2-0
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9
Generation of explicit electron correlation functional by means of local scaling transformations.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 439, doi. 10.1002/(SICI)1097-461X(1998)69:4<439::AID-QUA1>3.0.CO;2-W
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10
Prospects for a van der Waals density functional.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 615, doi. 10.1002/(SICI)1097-461X(1998)69:4<615::AID-QUA19>3.0.CO;2-Y
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11
Hartree-Fock calculations in the context of the local-scaling transformation version of density functional theory. Applications to the Lithium and Beryllium atoms.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 485, doi. 10.1002/(SICI)1097-461X(1998)69:4<485::AID-QUA5>3.0.CO;2-R
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12
A new Wigner-like correlation-energy functional from coordinate scaling requirements.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 523, doi. 10.1002/(SICI)1097-461X(1998)69:4<523::AID-QUA9>3.0.CO;2-X
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13
Virial exchange-correlation energy density in Hooke's atom.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 533, doi. 10.1002/(SICI)1097-461X(1998)69:4<533::AID-QUA10>3.0.CO;2-0
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14
Microscopic functional theory of dielectrics.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 567, doi. 10.1002/(SICI)1097-461X(1998)69:4<567::AID-QUA14>3.0.CO;2-X
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15
Comparison of density functional and Hartree-Fock average local ionization energies on molecular surfaces.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 607, doi. 10.1002/(SICI)1097-461X(1998)69:4<607::AID-QUA18>3.0.CO;2-W
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16
Exact modified-Hartree-Fock scheme through perturbation expansion of density matrices.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 469, doi. 10.1002/(SICI)1097-461X(1998)69:4<469::AID-QUA4>3.0.CO;2-T
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17
Polynomial and Padé Representations for the Kinetic Component T<sub>c</sub>[ρ] of the Correlation Energy Density Functional.
- Published in:
- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 513, doi. 10.1002/(SICI)1097-461X(1998)69:4<513::AID-QUA8>3.0.CO;2-Y
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18
A theoretical study of rare-gas diatomic molecules with the generalized-gradient approximation to density functional theory.
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- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 619, doi. 10.1002/(SICI)1097-461X(1998)69:4<619::AID-QUA20>3.0.CO;2-T
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19
A modified version of the electron localization function (ELF).
- Published in:
- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 559, doi. 10.1002/(SICI)1097-461X(1998)69:4<559::AID-QUA13>3.0.CO;2-V
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20
Kohn-Sham description of equilibria and charge transfer in reactive systems.
- Published in:
- International Journal of Quantum Chemistry, 1998, v. 69, n. 4, p. 591, doi. 10.1002/(SICI)1097-461X(1998)69:4<591::AID-QUA17>3.0.CO;2-2
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- Article