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OnderzoekZernike (ZIAM)

Refereed academic publications of 1995

Theoretical Chemistry
  1. de Vries, A.H., van Duijnen, P.T., Juffer, A.H., Rullmann, J.A.C., Dijkman, J.P., Merenga, H. & Thole, B.T. Implementation of reaction field methods in quantum-chemistry computer codes. Journal of Computational Chemistry 16 (1) 37-55 (1995)

  2. Dijkstra, F., de Jong, W.A. & Nieuwpoort, W.C. Electron correlation-effects on the F(6)-manifold of the Eu3+ impurity in Ba2GdNBo6. International Journal of Quantum Chemistry 609-613 (1995)

  3. Faas, S., Snijders, J.G., van Lenthe, J.H., van Lenthe, E. & Baerends, E.J. The ZORA formalism applied to the Dirac-Fock equation. Chemical Physics Letters 246 (6) 632-640 (1995)

  4. Gritsenko, O.V., Leeuwen, R.v. & Baerends, E.J. Molecular Kohn-Sham exchange correlation potential from the correlated ab-initio electron density. Physical Review A 52 (3) 1870-1874 (1995)

  5. Gritsenko, O.V., Leeuwen, R.v., van Lenthe, E. & Baerends, E.J. Self-consistent approximation to the Kohn-Sham exchange potentials. Physical Review A 51 (3) 1944-1954 (1995)

  6. Kroes, G.J., Snijders, J.G. & Mowrey, R.C. Performance of a fully close-coupled wave-packet method for the H-2+LiF(001) model problem. Journal of Chemical Physics 102 (13) 5512-5524 (1995)

  7. Kroes, G.J., Snijders, J.G. & Mowrey, R.C. Performance of close-coupled wave-packet methods for molecule-corrugated surface scattering. Journal of Chemical Physics 103 (12) 5121-5136 (1995)

  8. Leeuwen, R.v. & Baerends, E.J. Energy expressions in density-functional theory using line integrals. Physical Review A 51 (1) 170-178 (1995)

  9. Leeuwen, R.v., Gritsenko, O.V. & Baerends, E.J. Step structure in the atomic Kohn-Sham potential. Zeitschrift fur Physik D 33 229 (1995)

  10. Nooijen, M. & Snijders, J.G. 2nd-order many-body perturbation approximations to the coupled-cluster Greens-function. Journal of Chemical Physics 102 (4) 1681-1688 (1995)

  11. Sadlej, A.J., Snijders, J.G., van Lenthe, E. & Baerends, E.J. 4-Component regular relativistic hamiltonians and the perturbational treatment of Dirac-equation. Journal of Chemical Physics 102 (4) 1758-1766 (1995)

  12. van Duijnen, P.T. & de Vries, A.H. Utopia dielectrica. International Journal of Quantum Chemistry 523-531 (1995)

  13. van Gisbergen, S.J.A., Snijders, J.G. & Baerends, E.J. A density-functional theory study of frequency-dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules. Journal of Chemical Physics 103 (21) 9347-9354 (1995)

  14. van Lenthe, E., Baerends, E.J. & Snijders, J.G. Solving the Dirac equation, using the large component only, in a Dirac-type slater orbital basis set. Chemical Physics Letters 236 (3) 235-241 (1995)

  15. van Leuken, J.J., van Amerom, F.H.W., Bulthuis, J., Snijders, J.G. & Stolte, S. Parity-resolved rotationally inelastic collisions of hexapole state-selected No((2)Pi(1/2),j=1/2(-)) with Ar. Journal of Physical Chemistry 99 (42) 15573-15579 (1995)

  16. van Oosten, A.B., Broer, R. & Nieuwpoort, W.C. Heisenberg exchange in La2CuO4. International Journal of Quantum Chemistry 241-243 (1995)

  17. Wijers, C.M.J., de Boeij, P.L., van Hasselt, C.W. & Rasing, T. Effects of linear polarizability and local fields on surface SHG. Solid State Communications 93 (1) 17-20 (1995)

  18. Wijers, C.M.J., Lantinga, R. & de Boeij, P.L. Influence on SSHG of the orientation of uniaxial molecules on surfaces. Surface Science 333 1329-1334 (1995)

  19. Wijers, C.M.J. & de Boeij, P.L. SSHG of uniaxial molecules: phenomena near Brewster's angle. Physica Status solidi 152 237-248 (1995)

Last modified:22 October 2012 2.29 p.m.