Hans Jørgen Aagaard Jensen

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Research areas

Computational chemistry

Quantum Chemistry and other areas of Theoretical Chemistry

Research information

Computational Inorganic Chemistry.

New and improved methods for calculations of molecular properties; implemented in the Dalton and/or Dirac program packages.

Research areas

Theoretical chemistry
Molecularmodelling

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149 Journal article
2 Comment/debate
1 Anthology
1 Book chapter
More

An efficient implementation of time-dependent linear-response theory for strongly orthogonal geminal wave function models
Hapka, M., Pernal, K. & Jensen, H. J. A., 7. May 2022, In: The Journal of Chemical Physics. 156, 17, 174102 .
Research output: Contribution to journal › Journal article › Research › peer-review

Open Access
File
1 Downloads (Pure)
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Teale, A. M., Helgaker, T., Savin, A., Adamo, C., Aradi, B., Arbuznikov, A. V., Ayers, P. W., Baerends, E. J., Barone, V., Calaminici, P., Cancès, E., Carter, E. A., Chattaraj, P. K., Chermette, H., Ciofini, I., Crawford, T. D., De Proft, F., Dobson, J. F., Draxl, C., Frauenheim, T., & 50 othersFromager, E., Fuentealba, P., Gagliardi, L., Galli, G., Gao, J., Geerlings, P., Gidopoulos, N., Gill, P. M. W., Gori-Giorgi, P., Görling, A., Gould, T., Grimme, S., Gritsenko, O., Jensen, H. J. A., Johnson, E. R., Jones, R. O., Kaupp, M., Köster, A. M., Kronik, L., Krylov, A. I., Kvaal, S., Laestadius, A., Levy, M., Lewin, M., Liu, S., Loos, P. F., Maitra, N. T., Neese, F., Perdew, J. P., Pernal, K., Pernot, P., Piecuch, P., Rebolini, E., Reining, L., Romaniello, P., Ruzsinszky, A., Salahub, D. R., Scheffler, M., Schwerdtfeger, P., Staroverov, V. N., Sun, J., Tellgren, E., Tozer, D. J., Trickey, S. B., Ullrich, C. A., Vela, A., Vignale, G., Wesolowski, T. A., Xu, X. & Yang, W., 7. Dec 2022, In: Physical Chemistry Chemical Physics. 24, 47, p. 28700-28781
Research output: Contribution to journal › Journal article › Research › peer-review

Open Access
File
7 Downloads (Pure)
Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
Knecht, S., Repisky, M., Jensen, H. J. A. & Saue, T., 21. Sept 2022, In: The Journal of Chemical Physics. 157, 11, 114106 .
Research output: Contribution to journal › Journal article › Research › peer-review

Open Access
File
6 Downloads (Pure)
Multiconfigurational SCF and short-range DFT combined with polarizable density embedding: Comparison of linear-response and state-specific solvatochromic shifts of acrolein and para-nitrophenolate in water
Van Den Heuvel, W., Reinholdt, P., Jensen, H. J. A. & Kongsted, J., 11. Oct 2022, In: Journal of Chemical theory and Computation. 18, 10, p. 6231-6239
Research output: Contribution to journal › Journal article › Research › peer-review
Multiconfigurational short-range density functional theory for nuclear magnetic resonance shielding constants with gauge-including atomic orbitals
Jørgensen, F. K., Kjellgren, E., Jensen, H. J. A. & Hedegård, E. D., 26. Oct 2022, In: The Journal of Chemical Physics. 157, 16, 14 p., 164106.
Research output: Contribution to journal › Journal article › Research › peer-review

Open Access
File
20 Downloads (Pure)

3 Membership of review committee
2 Conference organisation or participation
2 Visiting another research institution
1 Board duties in companies, associations, or public organisations

Laboratoire de Chimie Quantique, CNRS/Université Louis Pasteur
Hans Jørgen Aagaard Jensen (Visiting researcher)
8. Oct 2007 → 20. Dec 2007
Activity: Visiting another research institution
UiT The Arctic University of Norway
Hans Jørgen Aagaard Jensen (Visiting researcher)
1. Aug 2007 → 19. Sept 2007
Activity: Visiting another research institution
Annual meeting 2007 of the Danish Chemical Society
Hans Jørgen Aagaard Jensen (Organizer)
7. Jun 2007
Activity: Attending an event › Conference organisation or participation
Kursus for ph.d.-vejledere
Hans Jørgen Aagaard Jensen (Organizer)
29. Jan 2007 → 30. Jan 2007
Activity: Attending an event › Conference organisation or participation
Kemisk Forening (External organisation)
Hans Jørgen Aagaard Jensen (Chairman)
1. Nov 2006 → 12. Nov 2010
Activity: Membership › Membership of review committee

Uddannelses- og Forskningsministeriet - FNU - Modeling of spin in transition metal chemistry
Jensen, H. J. A.
01/01/2013 → 31/12/2014
Project: Research

Hans Jørgen Aagaard Jensen

Personal profile

Research areas

Research information

Research areas

Fingerprint

Network

Dive into details

An efficient implementation of time-dependent linear-response theory for strongly orthogonal geminal wave function models

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple

Multiconfigurational SCF and short-range DFT combined with polarizable density embedding: Comparison of linear-response and state-specific solvatochromic shifts of acrolein and para-nitrophenolate in water

Multiconfigurational short-range density functional theory for nuclear magnetic resonance shielding constants with gauge-including atomic orbitals

Laboratoire de Chimie Quantique, CNRS/Université Louis Pasteur

UiT The Arctic University of Norway

Annual meeting 2007 of the Danish Chemical Society

Kursus for ph.d.-vejledere

Kemisk Forening (External organisation)

Uddannelses- og Forskningsministeriet - FNU - Modeling of spin in transition metal chemistry

Hans Jørgen Aagaard Jensen

Personal profile

Research areas

Research information

Research areas

Fingerprint

Network

Research output

Activities

Projects