S.J.A. van Gisbergen

发表

Implementation of time-dependent density functional response equations

J. G. Snijders, S.J.A. van Gisbergen, Evert Jan Baerends, 1999 .

Combining linear scaling and parallelization techniques in the Amsterdam Density Functional program.

Evert Jan Baerends, S.J.A. van Gisbergen, C. Fonseca Guerra, 2001 .

Assessment of Conventional Density Functional Schemes for Computing the Polarizabilities and Hyperpolarizabilities of Conjugated Oligomers: An Ab Initio Investigation of Polyacetylene Chains

Benoît Champagne, Bernard Kirtman, Evert Jan Baerends, 1998 .

Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory

Evert Jan Baerends, J. G. Snijders, S.J.A. van Gisbergen, 1998 .

A DFT/TDDFT interpretation of the ground and excited states of porphyrin and porphyrazine complexes

Evert Jan Baerends, S.J.A. van Gisbergen, E. Baerends, 2002 .

Density functional results for isotropic and anisotropic multipole polarizabilities and C6, C7, and C8 Van der Waals dispersion coefficients for molecules

Evert Jan Baerends, J. G. Snijders, S.J.A. van Gisbergen, 1997 .

A density-functional theory study of frequency-dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules

Evert Jan Baerends, J. G. Snijders, S.J.A. van Gisbergen, 1995 .

Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules

Evert Jan Baerends, J. G. Snijders, S.J.A. van Gisbergen, 1998 .

Electric field dependence of the exchange-correlation potential in molecular chains

Benoît Champagne, Bernard Kirtman, Evert Jan Baerends, 1999 .

Density-functional-theory response-property calculations with accurate exchange-correlation potentials

Evert Jan Baerends, J. G. Snijders, S.J.A. van Gisbergen, 1998 .

Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region

Evert Jan Baerends, Myrta Grüning, S.J.A. van Gisbergen, 2001 .

Electronic Spectra of M(CO)6 (M = Cr, Mo, W) Revisited by a Relativistic TDDFT Approach

J. G. Snijders, E. J. Baerends, S.J.A. van Gisbergen, 1999 .

Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials

Evert Jan Baerends, S.J.A. van Gisbergen, Oleg V. Gritsenko, 2000 .