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Hans Jørgen Aagaard Jensen
Hans Jørgen Aagaard Jensen
Department of Physics, Chemistry and Pharmacy; University of Southern Denmark
Email confirmado em sdu.dk
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The Dalton quantum chemistry program system
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014
1538*2014
Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces
J Olsen, BO Roos, P Jørgensen, HJA Jensen
The Journal of chemical physics 89 (4), 2185, 1988
11801988
DALTON, release 1.2 (2001), a molecular electronic structure program
T Helgaker, HJA Jensen, J Olsen, K Ruud, H Agren, AA Auer, KL Bak, ...
686*2001
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O
H Koch, HJA Jensen, P Jørgensen, T Helgaker
The Journal of Chemical Physics 93 (5), 3345-3350, 1990
6371990
Integration of the classical equations of motion on ab initio molecular potential energy surfaces using gradients and Hessians: application to translational energy release upon …
T Helgaker, E Uggerud, HJA Jensen
Chemical Physics Letters 173 (2-3), 145-150, 1990
3291990
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of chemical physics 152 (20), 2020
3242020
Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications
H Koch, HJA Jensen, P Jørgensen, T Helgaker, GE Scuseria, ...
The Journal of Chemical Physics 92, 4924, 1990
2891990
Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals
K Ruud, T Helgaker, R Kobayashi, P Jørgensen, KL Bak, HJA Jensen
The Journal of chemical physics 100, 8178, 1994
2751994
Hartree–Fock limit magnetizabilities from London orbitals
K Ruud, T Helgaker, KL Bak, P Jørgensen, HJA Jensen
The Journal of chemical physics 99 (5), 3847, 1993
2611993
Linear response calculations for large scale multiconfiguration self‐consistent field wave functions
P Jørgensen, HJA Jensen, J Olsen
The Journal of chemical physics 89, 3654, 1988
2561988
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties
GA Aucar, T Saue, L Visscher, HJA Jensen
The Journal of chemical physics 110 (13), 6208-6218, 1999
2501999
A multiconfigurational self‐consistent reaction‐field method
KV Mikkelsen, H Ågren, HJA Jensen, T Helgaker
The Journal of chemical physics 89, 3086, 1988
2481988
Nonlinear response theory with relaxation: The first-order hyperpolarizability
P Norman, DM Bishop, HJA Jensen, J Oddershede
The Journal of chemical physics 123 (19), 2005
2442005
Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
P Norman, DM Bishop, HJA Jensen, J Oddershede
The Journal of Chemical Physics 115, 10323, 2001
2392001
Solution of the large matrix equations which occur in response theory
J Olsen, HJA Jensen, P Jørgensen
Journal of Computational Physics 74 (2), 265-282, 1988
2371988
Quadratic response functions for a multiconfigurational self‐consistent field wave function
H Hettema, HJA Jensen, P Jørgensen, J Olsen
The Journal of chemical physics 97, 1174, 1992
2351992
Full four‐component relativistic calculations of NMR shielding and indirect spin–spin coupling tensors in hydrogen halides
L Visscher, T Enevoldsen, T Saue, HJA Jensen, J Oddershede
Journal of computational chemistry 20 (12), 1262-1273, 1999
2331999
Gauge‐origin independent multiconfigurational self‐consistent‐field theory for vibrational circular dichroism
KL Bak, P Jørgensen, T Helgaker, K Ruud, HJA Jensen
The Journal of chemical physics 98, 8873, 1993
2171993
A new implementation of the second‐order polarization propagator approximation (SOPPA): The excitation spectra of benzene and naphthalene
MJ Packer, EK Dalskov, T Enevoldsen, HJA Jensen, J Oddershede
The Journal of chemical physics 105, 5886, 1996
2141996
On the universality of the long-/short-range separation in multiconfigurational density-functional theory
E Fromager, J Toulouse, HJA Jensen
The Journal of chemical physics 126 (7), 2007
2092007
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Artigos 1–20