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ResearchZernike (ZIAM)

Refereed academic publications of 1998

Theoretical Chemistry
  1. Biesheuvel, C.A., Bulthuis, J., Janssen, M.H.M., Stolte, S. & Snijders, J.G. High-resolution laser spectroscopy of NO2 just above the (X)over-tilde(2)A(1)-(A)over-tilde(2)B(2) conical intersection: Transitions of K-=0 stacks. Journal of Chemical Physics 109 (22) 9701-9712 (1998)

  2. Champagne, B., Perpète, E.A., van Gisbergen, S.J.A., Baerends, E.J., Snijders, J.G., Soubra-Ghaoui, C., Robins, K.A. & Kirtman, B. Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains. Journal of Chemical Physics 109 (23) 10489-10498 (1998)

  3. de Graaf, C., de Jong, W.A., Broer, R. & Nieuwpoort, W.C. Theoretical study of the crystal field excitations in CoO. Chemical Physics 237 (1-2) 59-65 (1998)

  4. de Jong, W.A., Styszynski, J., Visscher, L. & Nieuwpoort, W.C. Relativistic and correlation effects on molecular properties: The interhalogens ClF, BrF, BrCl, IF, ICl, and IBr. Journal of Chemical Physics 108 (13) 5177-5184 (1998)

  5. de Lange, M.J.L., van Leuken, J.J., Drabbels, M.M.J.E., Bulthuis, J., Snijders, J.G. & Stolte, S. Direct spectroscopic determination of the degree of orientation of parity-selected NO. Chemical Physics Letters 294 (4-5) 332-338 (1998)

  6. Fonseca Guerra, C., Snijders, J.G., Velde, G.t. & Baerends, E.J. Towards an order-N DFT method. Theoretical Chemistry Accounts 99 (6) 391-403 (1998)

  7. Grozema, F.C. & van Duijnen, P.T. Solvent effects on the pi*<- n transition of acetone in various solvents: Direct reaction field calculations. Journal of Physical Chemistry A 102 (41) 7984-7989 (1998)

  8. Lappas, D.G. & Leeuwen, R.v. Electron correlation effects in the double ionization of He. Journal of Physics B-Atomic Molecular and Optical Physics 31 (6) L249-L256 (1998)

  9. Leeuwen, R.v. Causality and symmetry in time-dependent density-functional theory. Physical Review Letters 80 (6) 1280-1283 (1998)

  10. van Duijnen, P.T. & Swart, M. Molecular and atomic polarizabilities: Thole's model revisited. Journal of Physical Chemistry A 102 (14) 2399-2407 (1998)

  11. van Gisbergen, S.J.A., Snijders, J.G. & Baerends, E.J. Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules. Journal of Chemical Physics 109 (24) 10657-10668 (1998)

  12. van Gisbergen, S.J.A., Snijders, J.G. & Baerends, E.J. Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory. Journal of Chemical Physics 109 (24) 10644-10656 (1998)

  13. van Gisbergen, S.J.A., Kootstra, F., Schipper, P.R.T., Gritsenko, O.V., Snijders, J.G. & Baerends, E.J. Density-functional-theory response-property calculations with accurate exchange-correlation potentials. Physical Review A 57 (4) 2556-2571 (1998)

Last modified:22 October 2012 2.30 p.m.