Publications 1995

23J.G.SnijdersInleiding Verstrooiingstheorie
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AIO Cursus Quantumtheoretische Chemie, Han sur Lesse, België1995
22E.van Lenthe, E.J.Baerends, J.G.SnijdersSolving the Dirac equation , using the large component only, in a Dirac type Slater orbital basis
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Chem. Phys. Lett. 236, 235-2411995
21S.Faas, J.G.Snijders, J.H.van Lenthe, E.van Lenthe, E.J.BaerendsThe ZORA formalism applied to the Dirac-Fock equation
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Chem. Phys. Lett. 246, 632-6401995
20A.de VriesModelling condensed phase systems. From quantum chemistry to molecular models
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Dissertation Rijksuniversiteit Groningen, promotor prof.dr.W.C.Nieuwpoort, supervisor dr.P.Th.van Duijnen1995
19A.B.van Oosten, R.Broer, W.C.NieuwpoortHeisenberg exchange in La2CuO4
Int. J. Quant. Chem. S29, 241-2431995
18P.Th.van Duijnen, A.H.de VriesUtopia dielectrica
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Int. J. Quant. Chem. S29, 523-5311995
17F.Dijkstra, W.A.de Jong, W.C.NieuwpoortElectron Correlation Effects on the f6-Manifold of the Eu3+ Impurity in Ba2GdNbO6
Int. J. Quant. Chem. S29, 609-6131995
16M.Nooijen, J.G.SnijdersSecond order MBPT approximations to the Coupled Cluster Green's Function
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J. Chem. Phys. 102, 1681-16881995
15A.J.Sadlej, J.G.Snijders, E.van Lenthe, E.J.BaerendsFour component regular relativistic Hamiltonians and the perturbational treatment of Dirac's equation
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J. Chem. Phys. 102, 1758-17661995
14G.J.Kroes, J.G.Snijders, R.C.MowreyPerformance of a fully closed-coupled wave packet method for the H2+LiF(001) model problem
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J. Chem. Phys. 102, 5512-55241995
13G.J.Kroes, J.G.Snijders, R.C.MowreyPerformance of close-coupled wave packet methods for molecule-corrugated surface scattering
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J. Chem. Phys. 103, 5121-51361995
12S.J.A.van Gisbergen, J.G.Snijders, E.J.BaerendsA Density Functional Theory study of frequency-dependent polarizabilities and van der Waals dispersion coefficients for polyatomic molecules
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J. Chem. Phys. 103, 9347-93541995
11A.H.de Vries, P.Th.van Duijnen, A.H.Juffer, J.A.C.Rullmann, J.P.Dijkman, H.Merenga, B.T.TholeImplementation of reaction field methods in quantum chemistry computer codes
J. Comput. Chem. 16, 37-551995
10J.J.van Leuken, F.H.W.van Amerom, J.Bulthuis, J.G.Snijders, S.StolteParity resolved rotationally inelastic collisions of hexapole state-selected NO (2P1/2, J=1/2 -) with Ar
J. Phys. Chem. 99, 15573-155791995
9L.Visscher, W.A.de Jong, O.Visser, P.J.C.Aerts, H.Merenga, W.C.NieuwpoortRelativistic Quantum Chemistry. The MOLFDIR Program Package
Methods and Techniques for Computational Chemistry, METECC-5, E. Clementi and G. Corongiu, eds, p. 169-218, STEF, Cagliari1995
8C.Fonseca Guerra, O.Visser, J.G.Snijders, G.te Velde, E.J.BaerendsParallelisation of the Amsterdam Density Functional Programme
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Methods and Techniques for Computational Chemistry, METECC-5, E. Clementi and G. Corongiu, eds, p. 303-395, STEF, Cagliari1995
7R.van Leeuwen, E.J.BaerendsEnergy expressions in density functional theory using line integrals
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Phys. Rev. A 51, 170-1781995
6O.V.Gritsenko, R.van Leeuwen, E.van Lenthe, E.J.BaerendsSelf-consistent approximation to the Kohn-Sham exchange potential
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Phys. Rev. A 51, 1944-19541995
5O.V.Gritsenko, R.van Leeuwen, E.J.BaerendsMolecular Kohn-Sham exchange-correlation potential from correlated ab initio electron density
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Phys. Rev. A 52, 1870-18741995
4C.M.J.Wijers, P.L.de BoeijSSHG of Uniaxial Molecules: Phenomena near Brewster's Angle
Physica status solidi 152, 237-2481995
3C.M.J.Wijers, P.L.de Boeij, C.W.van Hasselt, Th.Rasing,The effect of linear polarisability and local fields on surface SHG
Solid State Commun. 93, 17-20 1995
2C.M.J.Wijers, R.Lantinga, P.L.de BoeijInfluence on SSHG of the orientation of uniaxial molecules on surfaces
Surf. Sci. 331-333, 1329-13341995
1R.van Leeuwen, O.V.Gritsenko, E.J.BaerendsStep structure in the atomic Kohn-Sham potential
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Z. Phys. D 33, 2291995