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Results: 1-14 |
Results: 14
Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules
Authors: Della Sala, F Gorling, A
Citation: F. Della Sala et A. Gorling, Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules, J CHEM PHYS, 115(13), 2001, pp. 5718-5732
The role of exchange and correlation in time-dependent density-functional theory for photoionization
Authors: Stener, M Decleva, P Gorling, A
Citation: M. Stener et al., The role of exchange and correlation in time-dependent density-functional theory for photoionization, J CHEM PHYS, 114(18), 2001, pp. 7816-7829
Excitation energies of terthiophene and its dioxide derivative: a first-principles study
Authors: Della Sala, F Heinze, HH Gorling, A
Citation: F. Della Sala et al., Excitation energies of terthiophene and its dioxide derivative: a first-principles study, CHEM P LETT, 339(5-6), 2001, pp. 343-350
Norm-conserving pseudopotentials in the exact-exchange Kohn-Sham formalism
Authors: Moukara, M Stadele, M Majewski, JA Vogl, P Gorling, A
Citation: M. Moukara et al., Norm-conserving pseudopotentials in the exact-exchange Kohn-Sham formalism, J PHYS-COND, 12(30), 2000, pp. 6783-6798
Adiabatic perturbation theory for Van der Waals coefficients
Authors: Gorling, A Heinze, HH Levy, M
Citation: A. Gorling et al., Adiabatic perturbation theory for Van der Waals coefficients, J MOL ST-TH, 501, 2000, pp. 271-276
Exact-exchange-based quasiparticle calculations
Authors: Aulbur, WG Stadele, M Gorling, A
Citation: Wg. Aulbur et al., Exact-exchange-based quasiparticle calculations, PHYS REV B, 62(11), 2000, pp. 7121-7132
Proper treatment of symmetries and excited states in a computationally tractable Kohn-Sham method
Authors: Gorling, A
Citation: A. Gorling, Proper treatment of symmetries and excited states in a computationally tractable Kohn-Sham method, PHYS REV L, 85(20), 2000, pp. 4229-4232
An efficient method for calculating molecular excitation energies by time-dependent density-functional theory
Authors: Heinze, HH Gorling, A Rosch, N
Citation: Hh. Heinze et al., An efficient method for calculating molecular excitation energies by time-dependent density-functional theory, J CHEM PHYS, 113(6), 2000, pp. 2088-2099
Excitation energies of dissociating H-2: A problematic case for the adiabatic approximation of time-dependent density functional theory
Authors: Gritsenko, OV van Gisbergen, SJA Gorling, A Baerends, EJ
Citation: Ov. Gritsenko et al., Excitation energies of dissociating H-2: A problematic case for the adiabatic approximation of time-dependent density functional theory, J CHEM PHYS, 113(19), 2000, pp. 8478-8489
Density-functional theory beyond the Hohenberg-Kohn theorem
Authors: Gorling, A
Citation: A. Gorling, Density-functional theory beyond the Hohenberg-Kohn theorem, PHYS REV A, 59(5), 1999, pp. 3359-3374
Exact exchange Kohn-Sham formalism applied to semiconductors
Authors: Stadele, M Moukara, M Majewski, JA Vogl, P Gorling, A
Citation: M. Stadele et al., Exact exchange Kohn-Sham formalism applied to semiconductors, PHYS REV B, 59(15), 1999, pp. 10031-10043
Exact treatment of exchange in Kohn-Sham band-structure schemes (vol 53, pg 7024, 1996)
Authors: Gorling, A
Citation: A. Gorling, Exact treatment of exchange in Kohn-Sham band-structure schemes (vol 53, pg 7024, 1996), PHYS REV B, 59(15), 1999, pp. 10370-10370
New KS method for molecules based on an exchange charge density generatingthe exact local KS exchange potential
Authors: Gorling, A
Citation: A. Gorling, New KS method for molecules based on an exchange charge density generatingthe exact local KS exchange potential, PHYS REV L, 83(26), 1999, pp. 5459-5462
Density- and density-matrix-based coupled Kohn-Sham methods for dynamic polarizabilities and excitation energies of molecules
Authors: Gorling, A Heinze, HH Ruzankin, SP Staufer, M Rosch, N
Citation: A. Gorling et al., Density- and density-matrix-based coupled Kohn-Sham methods for dynamic polarizabilities and excitation energies of molecules, J CHEM PHYS, 110(6), 1999, pp. 2785-2799
Risultati: 1-14 |