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Results: 1-14 |
Results: 14
DENSITY-FUNCTIONAL CALCULATIONS OF MOLECULAR HYPERFINE INTERACTIONS IN THE ZERO-ORDER REGULAR APPROXIMATION FOR RELATIVISTIC EFFECTS
Authors: VANLENTHE E VANDERAVOIRD A WORMER PES
Citation: E. Vanlenthe et al., DENSITY-FUNCTIONAL CALCULATIONS OF MOLECULAR HYPERFINE INTERACTIONS IN THE ZERO-ORDER REGULAR APPROXIMATION FOR RELATIVISTIC EFFECTS, The Journal of chemical physics, 108(12), 1998, pp. 4783-4796
A STUDY OF THE TRANSITION-METAL TETRAFLUORIDES (TIF4, ZRF4, HFF4) USING HIGH-TEMPERATURE ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY
Authors: DYKE JM HAGGERSTON D WRIGHT AE MORRIS A VANLENTHE E SNIJDERS JC
Citation: Jm. Dyke et al., A STUDY OF THE TRANSITION-METAL TETRAFLUORIDES (TIF4, ZRF4, HFF4) USING HIGH-TEMPERATURE ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY, Journal of electron spectroscopy and related phenomena, 85(1-2), 1997, pp. 23-33
RELATIVISTIC CALCULATIONS ON THE ADSORPTION OF CO ON THE (111)SURFACES OF NI, PD, AND PT WITHIN THE ZEROTH-ORDER REGULAR APPROXIMATION
Authors: PHILIPSEN PHT VANLENTHE E SNIJDERS JG BAERENDS EJ
Citation: Pht. Philipsen et al., RELATIVISTIC CALCULATIONS ON THE ADSORPTION OF CO ON THE (111)SURFACES OF NI, PD, AND PT WITHIN THE ZEROTH-ORDER REGULAR APPROXIMATION, Physical review. B, Condensed matter, 56(20), 1997, pp. 13556-13562
DENSITY-FUNCTIONAL CALCULATIONS OF MOLECULAR G-TENSORS IN THE ZERO-ORDER REGULAR APPROXIMATION FOR RELATIVISTIC EFFECTS
Authors: VANLENTHE E WORMER PES VANDERAVOIRD A
Citation: E. Vanlenthe et al., DENSITY-FUNCTIONAL CALCULATIONS OF MOLECULAR G-TENSORS IN THE ZERO-ORDER REGULAR APPROXIMATION FOR RELATIVISTIC EFFECTS, The Journal of chemical physics, 107(7), 1997, pp. 2488-2498
CONSTRUCTION OF THE FOLDY-WOUTHUYSEN TRANSFORMATION AND SOLUTION OF THE DIRAC-EQUATION USING LARGE COMPONENTS ONLY
Authors: VANLENTHE E BAERENDS EJ SNIJDERS JG
Citation: E. Vanlenthe et al., CONSTRUCTION OF THE FOLDY-WOUTHUYSEN TRANSFORMATION AND SOLUTION OF THE DIRAC-EQUATION USING LARGE COMPONENTS ONLY, The Journal of chemical physics, 105(6), 1996, pp. 2373-2377
THE ZERO-ORDER REGULAR APPROXIMATION FOR RELATIVISTIC EFFECTS - THE EFFECT OF SPIN-ORBIT-COUPLING IN CLOSED-SHELL MOLECULES
Authors: VANLENTHE E SNIJDERS JG BAERENDS EJ
Citation: E. Vanlenthe et al., THE ZERO-ORDER REGULAR APPROXIMATION FOR RELATIVISTIC EFFECTS - THE EFFECT OF SPIN-ORBIT-COUPLING IN CLOSED-SHELL MOLECULES, The Journal of chemical physics, 105(15), 1996, pp. 6505-6516
RELATIVISTIC REGULAR 2-COMPONENT HAMILTONIANS
Authors: VANLENTHE E VANLEEUWEN R BAERENDS EJ SNIJDERS JG
Citation: E. Vanlenthe et al., RELATIVISTIC REGULAR 2-COMPONENT HAMILTONIANS, International journal of quantum chemistry, 57(3), 1996, pp. 281-293
SELF-CONSISTENT APPROXIMATION TO THE KOHN-SHAM EXCHANGE POTENTIAL
Authors: GRITSENKO O VANLEEUWEN R VANLENTHE E BAERENDS EJ
Citation: O. Gritsenko et al., SELF-CONSISTENT APPROXIMATION TO THE KOHN-SHAM EXCHANGE POTENTIAL, Physical review. A, 51(3), 1995, pp. 1944-1954
4-COMPONENT REGULAR RELATIVISTIC HAMILTONIANS AND THE PERTURBATIONAL TREATMENT OF DIRAC-EQUATION
Authors: SADLEJ AJ SNIJDERS JG VANLENTHE E BAERENDS EJ
Citation: Aj. Sadlej et al., 4-COMPONENT REGULAR RELATIVISTIC HAMILTONIANS AND THE PERTURBATIONAL TREATMENT OF DIRAC-EQUATION, The Journal of chemical physics, 102(4), 1995, pp. 1758-1766
THE ZORA FORMALISM APPLIED TO THE DIRAC-FOCK EQUATION
Authors: FAAS S SNIJDERS JG VANLENTHE JH VANLENTHE E BAERENDS EJ
Citation: S. Faas et al., THE ZORA FORMALISM APPLIED TO THE DIRAC-FOCK EQUATION, Chemical physics letters, 246(6), 1995, pp. 632-640
SOLVING THE DIRAC-EQUATION, USING THE LARGE COMPONENT ONLY, IN A DIRAC-TYPE SLATER ORBITAL BASIS-SET
Authors: VANLENTHE E BAERENDS EJ SNIJDERS JG
Citation: E. Vanlenthe et al., SOLVING THE DIRAC-EQUATION, USING THE LARGE COMPONENT ONLY, IN A DIRAC-TYPE SLATER ORBITAL BASIS-SET, Chemical physics letters, 236(3), 1995, pp. 235-241
EXACT-SOLUTIONS OF REGULAR APPROXIMATE RELATIVISTIC WAVE-EQUATIONS FOR HYDROGEN-LIKE ATOMS
Authors: VANLEEUWEN R VANLENTHE E BAERENDS EJ SNIJDERS JG
Citation: R. Vanleeuwen et al., EXACT-SOLUTIONS OF REGULAR APPROXIMATE RELATIVISTIC WAVE-EQUATIONS FOR HYDROGEN-LIKE ATOMS, The Journal of chemical physics, 101(2), 1994, pp. 1272-1281
RELATIVISTIC TOTAL-ENERGY USING REGULAR APPROXIMATIONS
Authors: VANLENTHE E BAERENDS EJ SNIJDERS JG
Citation: E. Vanlenthe et al., RELATIVISTIC TOTAL-ENERGY USING REGULAR APPROXIMATIONS, The Journal of chemical physics, 101(11), 1994, pp. 9783-9792
RELATIVISTIC REGULAR 2-COMPONENT HAMILTONIANS
Authors: VANLENTHE E BAERENDS EJ SNIJDERS JG
Citation: E. Vanlenthe et al., RELATIVISTIC REGULAR 2-COMPONENT HAMILTONIANS, The Journal of chemical physics, 99(6), 1993, pp. 4597-4610
Risultati: 1-14 |