• Campusvej 55

    5230 Odense M

    Denmark

1982 …2019
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Personal profile

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

Fingerprint Dive into the research topics where Hans Jørgen Aagaard Jensen is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 3 Similar Profiles
Wave functions Chemical Compounds
self consistent fields Physics & Astronomy
wave functions Physics & Astronomy
Density functional theory Chemical Compounds
Molecules Chemical Compounds
Excitation energy Chemical Compounds
density functional theory Physics & Astronomy
excitation Physics & Astronomy

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 1982 2019

Generalized Valence Bond Perfect-Pairing Made Versatile Through Electron-Pairs Embedding

Pastorczak, E., Jensen, H. J. A., Kowalski, P. H. & Pernal, K., 13. Aug 2019, In : Journal of Chemical Theory and Computation. 15, 8, p. 4430-4439

Research output: Contribution to journalJournal articleResearchpeer-review

embedding
valence
Electron correlations
Electrons
electrons

Relativistic quantum chemical calculations show that the uranium molecule U2 has a quadruple bond

Knecht, S., Jensen, H. J. A. & Saue, T., Jan 2019, In : Nature Chemistry. 11, p. 40-44

Research output: Contribution to journalJournal articleResearchpeer-review

Actinoid Series Elements
Uranium
Electronic structure
Molecules
Ground state

Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations

Kjellgren, E. R., Hedegård, E. D. & Jensen, H. J. A., 28. Sep 2019, In : Journal of Chemical Physics. 151, 12, 124113.

Research output: Contribution to journalJournal articleResearchpeer-review

Excitation energy
atomic energy levels
Density functional theory
density functional theory
energy
22 Downloads (Pure)

Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory

Dong, G., Ryde, U., Aa Jensen, H. J. & Hedegård, E. D., 1. Jan 2018, In : Physical chemistry chemical physics : PCCP. 20, 2, p. 794-801

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
Density functional theory
density functional theory
inorganic chemistry
Wave functions
wave functions
33 Downloads (Pure)

Multiconfigurational short-range density-functional theory for open-shell systems

Hedegård, E. D., Toulouse, J. & Jensen, H. J. A., 2018, In : Journal of Chemical Physics. 148, 21, 15 p., 214103.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
Wave functions
Density functional theory
wave functions
density functional theory
Quantum chemistry

Activities 2004 2007

  • 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 200720. Dec 2007

Activity: Visiting another research institution

University of Tromsø

Hans Jørgen Aagaard Jensen (Visiting researcher)
1. Aug 200719. Sep 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 eventConference organisation or participation

Kursus for ph.d.-vejledere

Hans Jørgen Aagaard Jensen (Organizer)
29. Jan 200730. Jan 2007

Activity: Attending an eventConference organisation or participation

Kemisk Forening (External organisation)

Hans Jørgen Aagaard Jensen (Chairman)
1. Nov 200612. Nov 2010

Activity: MembershipMembership of review committee

Projects 2013 2014