Publications 1998

20J.G.SnijdersQuantum Statistical Response Functions
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AIO course in Theoretical Chemistry, Han sur Lesse, Belgium1998
19C.de Graaf, W.A.de Jong, R.Broer, W.C.NieuwpoortTheoretical study of the crystal field excitations in CoO
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Chem. Phys. 237, 59-651998
18M.J.L.de Lange, J.J.van Leuken, M.M.J.E.Drabbels, J.Bulthuis, J.G.Snijders, S.StolteDirect Spectroscopic determination of the degree of orientation of parity-selected NO
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Chem. Phys. Lett. 294, 332-3381998
17W.A.de JongRelativistic quantum chemistry applied
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Dissertation Rijksuniversiteit Groningen, promotor prof.dr.W.C.Nieuwpoort1998
16C.de GraafLocal excitations and magnetism in late transition metal oxides
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Dissertation Rijksuniversiteit Groningen, promotor prof.dr.W.C.Nieuwpoort, copromotor dr.R.Broer1998
15S.J.A.van Gisbergen Molecular Response Property Calculations using Time-dependent Density Functional Theory
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Dissertation Vrije Universiteit, Amsterdam, promotores prof.dr.J.G.Snijders, prof.dr.E.J.Baerends1998
14C.A.BiesheuvelHigh-resolution laser spectroscopy of nitrogen dioxide
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Dissertation Vrije Universiteit, Amsterdam, promotores prof.dr.S.Stolte, prof.dr.J.G.Snijders1998
13C-.O.Almbladh, U.von Barth, R.van LeeuwenVariational total energies from Phi- and Psi-derivable theories
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in Proceedings of the 9th International Conference on Recent Progressin Many-Body Theories, ed. D.Neilson (World Scientific)1998
12W.A.de Jong, J.Styszynski, L.Visscher, W.C.NieuwpoortRelativistic and correlation effects on molecular properties. III. The interhalogens ClF, BrF, BrCl, IF, ICl and IBr.
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J. Chem. Phys. 108, 5177-51841998
11B.Champagne, E.A.Perpète, S.J.A.van Gisbergen, E.J.Baerends, J.G.Snijders, C.Soubra-Ghaoui, K.Robins, B.KirtmanAssessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains
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J. Chem. Phys. 109, 10489-104981998
10S.J.A.van Gisbergen, J.G.Snijders, E.J.BaerendsCalculating frequency-dependent hyperpolarizabilities with density functional theory
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J. Chem. Phys. 109, 10644-106561998
9S.J.A.van Gisbergen, J.G.Snijders, E.J.BaerendsAccurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules
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J. Chem. Phys. 109, 10657-106681998
8C.A.Biesheuvel, J.Bulthuis, M.H.M.Janssen, S.Stolte, J.G.SnijdersHigh-resolution laser spectroscopy of NO2 just above the X2A1 - A2B2 conical intersection. Transitions of K = 0 stacks
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J. Chem. Phys. 109, 9701-97121998
7D.G.Lappas, R.van LeeuwenElectron correlation effects in the double ionization of He
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J. Phys. B 31, L249-L2561998
6P.Th.van Duijnen, M.SwartMolecular and atomic polarizabilities : Thole's model Revisited
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J. Phys. Chem. A 102, 2399-24071998
5F.C.Grozema, P.Th.van DuijnenSolvent effects on the n to p* transition of acetone in various solvents
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J. Phys. Chem. A 102, 7984-79891998
4S.J.A.van Gisbergen, F.Kootstra, P.R.T.Schipper, O.V.Gritsenko, J.G.Snijders, E.J.BaerendsDensity functional theory response property calculations with accurate exchange-correlation potentials
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Phys. Rev. A 57, 2556-25711998
3R.van LeeuwenCausality and symmetry in time-dependent density functional theory
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Phys. Rev. Lett. 80, 1280-12831998
2A.C.Dros, R.W.J.Zijlstra, P.Th.van Duijnen, A.L.Spek, H.Kooijman, R.M.KelloggUnusual Conformational Aspects of some Novel Chiral Non-racemic Pyridinyl-2-Phosphonates
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Tetrahedron 54, 7787-78121998
1C.Fonseca Guerra, J.G.Snijders, G.te Velde, E.J.BaerendsTowards an order-N DFT method
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Theor. Chem. Acc. 99 6, 391-4031998