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Kenneth Ruud
Kenneth Ruud
Hylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University of
Verified email at uit.no - Homepage
Title
Cited by
Cited by
Year
Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants
T Helgaker, M Jaszunski, K Ruud
Chemical Reviews 99, 293-352, 1999
16891999
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
14162014
Recent advances in wave function-based methods of molecular-property calculations
T Helgaker, S Coriani, P Jørgensen, K Kristensen, J Olsen, K Ruud
Chemical reviews 112 (1), 543-631, 2012
6932012
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ...
Release 1, 63, 2001
3502001
Vibrational Raman optical activity calculations using London atomic orbitals
T Helgaker, K Ruud, KL Bak, P Jørgensen, J Olsen
Faraday Discussions 99, 165-180, 1994
2871994
Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals
K Ruud, T Helgaker, R Kobayashi, P Jo/rgensen, KL Bak, HJA Jensen
The Journal of chemical physics 100 (11), 8178-8185, 1994
2741994
Hartree–Fock limit magnetizabilities from London orbitals
K Ruud, T Helgaker, KL Bak, P Jo/rgensen, HJA Jensen
The Journal of chemical physics 99 (5), 3847-3859, 1993
2521993
An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules
K Ruud, PO Åstrand, PR Taylor
The Journal of Chemical Physics 112 (6), 2668-2683, 2000
2512000
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
2362010
Perturbation‐dependent atomic orbitals for the calculation of spin‐rotation constants and rotational g tensors
J Gauss, K Ruud, T Helgaker
The Journal of chemical physics 105 (7), 2804-2812, 1996
2351996
Optical rotation studied by density-functional and coupled-cluster methods
K Ruud, T Helgaker
Chemical physics letters 352 (5-6), 533-539, 2002
2212002
Basis-set dependence of nuclear spin-spin coupling constants
T Helgaker, M Jaszuński, K Ruud, A Górska
Theoretical Chemistry Accounts 99, 175-182, 1998
2191998
Gauge‐origin independent multiconfigurational self‐consistent‐field theory for vibrational circular dichroism
KL Bak, T Helgaker, K Ruud, HJ Jensen
The Journal of chemical physics 98 (11), 8873-8887, 1993
2151993
Vibrational corrections to indirect nuclear spin–spin coupling constants calculated by density-functional theory
TA Ruden, OB Lutnæs, T Helgaker, K Ruud
The Journal of chemical physics 118 (21), 9572-9581, 2003
1862003
Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP
MTP Beerepoot, DH Friese, NH List, J Kongsted, K Ruud
Physical Chemistry Chemical Physics 17 (29), 19306-19314, 2015
1812015
Gauge-origin independent density-functional theory calculations of vibrational Raman optical activity
K Ruud, T Helgaker, P Bouř
The Journal of Physical Chemistry A 106 (32), 7448-7455, 2002
1762002
TDDFT diagnostic testing and functional assessment for triazene chromophores
MJG Peach, CR Le Sueur, K Ruud, M Guillaume, DJ Tozer
Physical Chemistry Chemical Physics 11 (22), 4465-4470, 2009
1722009
Ab initio calculation of electronic circular dichroism fortrans-cyclooctene using London atomic orbitals
KL Bak, AE Hansen, K Ruud, T Helgaker, J Olsen, P Jørgensen
Theoretica chimica acta 90, 441-458, 1995
1631995
Zero-point vibrational effects on proton shieldings: Functional-group contributions from ab initio calculations
K Ruud, PO Åstrand, PR Taylor
Journal of the American Chemical Society 123 (20), 4826-4833, 2001
1552001
Excitation energies in solution: the fully polarizable QM/MM/PCM method
AH Steindal, K Ruud, L Frediani, K Aidas, J Kongsted
The Journal of Physical Chemistry B 115 (12), 3027-3037, 2011
1542011
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