Andreas J. Thorvaldsen
Andreas J. Thorvaldsen
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Cited by
Cited by
The D alton 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
Место установки программы:/opt/lib/dalton/Книги и статьи:• Aidas K., Angeli C., Bak KL The Dalton quantum chemistry program system.//Wires computational molecular science, 2014 …
K Aidas
science 4 (3), 269-284, 2014
Arbitrary-order density functional response theory from automatic differentiation
U Ekström, L Visscher, R Bast, AJ Thorvaldsen, K Ruud
Journal of chemical theory and computation 6 (7), 1971-1980, 2010
A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation-and time-dependent basis sets
AJ Thorvaldsen, K Ruud, K Kristensen, P Jørgensen, S Coriani
The Journal of chemical physics 129 (21), 214108, 2008
Theoretical approaches to the calculation of Raman optical activity spectra
K Ruud, AJ Thorvaldsen
Chirality: The Pharmacological, Biological, and Chemical Consequences of …, 2009
The ab initio calculation of molecular electric, magnetic and geometric properties
R Bast, U Ekström, B Gao, T Helgaker, K Ruud, AJ Thorvaldsen
Physical Chemistry Chemical Physics 13 (7), 2627-2651, 2011
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014)
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
GEN1INT: A unified procedure for the evaluation of one‐electron integrals over Gaussian basis functions and their geometric derivatives
B Gao, AJ Thorvaldsen, K Ruud
International Journal of Quantum Chemistry 111 (4), 858-872, 2011
Damped response theory description of two-photon absorption
K Kristensen, J Kauczor, AJ Thorvaldsen, P Jørgensen, T Kjærgaard, ...
The Journal of chemical physics 134 (21), 214104, 2011
Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies
K Kristensen, P Jørgensen, AJ Thorvaldsen, T Helgaker
The Journal of chemical physics 129 (21), 214103, 2008
Analytic cubic and quartic force fields using density-functional theory
M Ringholm, D Jonsson, R Bast, B Gao, AJ Thorvaldsen, U Ekström, ...
The Journal of Chemical Physics 140 (3), 034103, 2014
Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree− Fock and Kohn− Sham Response Theories
T Kjaergaard, P Jørgensen, AJ Thorvaldsen, P Sałek, S Coriani
Journal of Chemical Theory and Computation 5 (8), 1997-2020, 2009
Analytic calculations of vibrational hyperpolarizabilities in the atomic orbital basis
AJ Thorvaldsen, K Ruud, M Jaszuński
The Journal of Physical Chemistry A 112 (46), 11942-11950, 2008
Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models
R Bast, AJ Thorvaldsen, M Ringholm, K Ruud
Chemical Physics 356 (1-3), 177-186, 2009
Comparison of standard and damped response formulations of magnetic circular dichroism
T Kjærgaard, K Kristensen, J Kauczor, P Jørgensen, S Coriani, ...
The Journal of chemical physics 135 (2), 024112, 2011
Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)
AJ Thorvaldsen, L Ferrighi, K Ruud, H Ågren, S Coriani, P Jørgensen
Physical Chemistry Chemical Physics 11 (13), 2293-2304, 2009
Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton–Mouton constants using London atomic orbitals
AJ Thorvaldsen, K Ruud, A Rizzo, S Coriani
The Journal of chemical physics 129 (16), 164110, 2008
H. gren, WIREs Comput
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Mol. Sci 4, 269-284, 2014
Efficient calculation of ROA tensors with analytical gradients and fragmentation
AJ Thorvaldsen, BIN Gao, K Ruud, M Fedorovsky, G Zuber, W Hug
Chirality 24 (12), 1018-1030, 2012
The aqueous Raman optical activity spectra of 4(R)‐hydroxyproline: theory and experiment
M Pecul, C Deillon, AJ Thorvaldsen, K Ruud
Journal of Raman Spectroscopy 41 (10), 1200-1210, 2010
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