S.J.A. van Gisbergen

dr.

19952003
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Fingerprint Dive into the research topics where S.J.A. van Gisbergen is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 11 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Molecules Chemical Compounds
Discrete Fourier transforms Chemical Compounds
Excitation energy Chemical Compounds
molecules Physics & Astronomy
Carbon Monoxide Chemical Compounds
Excited states Chemical Compounds

Research Output 1995 2003

  • 29 Article
  • 1 Erratum
  • 1 PhD Thesis - Research VU, graduation VU

Time-dependent density functional calculations on the optical spectra of metal-porphyrins and metal-phthalocyanines

Baerends, E. J., Rosa, A., Ricciardi, G. & van Gisbergen, S. J. A., 2003, In : Abstracts of Papers - American Chemical Society. 225, p. U703-U703

Research output: Contribution to JournalArticleAcademicpeer-review

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

Baerends, E. J., Ricciardi, G., Rosa, A. & van Gisbergen, S. J. A., 2002, In : Coordination Chemistry Reviews. 230, 1-2, p. 5-27

Research output: Contribution to JournalArticleAcademicpeer-review

Porphyrins
Excited states
Discrete Fourier transforms
porphyrins
Ground state

Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules

Autschbach, J., Ziegler, T., van Gisbergen, S. J. A. & Baerends, E. J., 2002, In : Journal of Chemical Physics. 116, 16, p. 6930-6940

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File
Discrete Fourier transforms
dichroism
Density functional theory
density functional theory
Ethylene Oxide

Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules

Autschbach, J., Patchkovskii, S., Ziegler, T., van Gisbergen, S. J. A. & Baerends, E. J., 2002, In : Journal of Chemical Physics. 117, 2, p. 581-592

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
File
Optical rotation
Density functional theory
density functional theory
functionals
Molecules
Open Access
File
Excitation energy
gradients
Molecules
approximation
excitation

Activities 1999 2000

  • 7 Lecture / Presentation

Polarizabilities and Excitations in Large Molecules.

S.J.A. van Gisbergen (Speaker)
20 Mar 2000

Activity: Lecture / PresentationAcademic

Potential problems in time-dependent density functional theory.

S.J.A. van Gisbergen (Speaker)
18 Jun 1999

Activity: Lecture / PresentationAcademic

Potential problems in time-dependent density functional theory

S.J.A. van Gisbergen (Speaker)
15 Apr 1999

Activity: Lecture / PresentationAcademic

Applications of time-dependent DFT with the ADF program.

S.J.A. van Gisbergen (Speaker)
18 Jun 1999

Activity: Lecture / PresentationAcademic

Analysis of linear term in xc potential of finite systems.

S.J.A. van Gisbergen (Speaker)
13 Sep 1999

Activity: Lecture / PresentationAcademic