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Thomas Bondo Pedersen
Thomas Bondo Pedersen
Hylleraas Centre for Quantum Molecular Sciences, Dept. of Chemistry, University of Oslo
Verified email at kjemi.uio.no - Homepage
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Cited by
Year
MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
16812010
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
13042016
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
11722014
Reduced scaling in electronic structure calculations using Cholesky decompositions
H Koch, A Sánchez de Merás, TB Pedersen
The Journal of chemical physics 118 (21), 9481-9484, 2003
4322003
Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato …
F Aquilante, PĹ Malmqvist, TB Pedersen, A Ghosh, BO Roos
Journal of chemical theory and computation 4 (5), 694-702, 2008
3492008
DALTON, a molecular electronic structure program
T Helgaker, HJA Jensen, P Jřrgensen, J Olsen, K Ruud, H Ĺgren, ...
Release 1, 63, 2001
3332001
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
F Aquilante, TB Pedersen, R Lindh
The Journal of chemical physics 126 (19), 194106, 2007
3232007
Unbiased auxiliary basis sets for accurate two-electron integral approximations
F Aquilante, R Lindh, T Bondo Pedersen
The Journal of chemical physics 127 (11), 114107, 2007
2682007
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
F Aquilante, L Gagliardi, TB Pedersen, R Lindh
The Journal of chemical physics 130 (15), 154107, 2009
2082009
Accurate ab initio density fitting for multiconfigurational self-consistent field methods
F Aquilante, TB Pedersen, R Lindh, BO Roos, A Sánchez de Merás, ...
The Journal of chemical physics 129 (2), 024113, 2008
1912008
DALTON, a molecular electronic structure program
H Agren, DJ Wilson, O Vahtras, PR Taylor, KO Sylvester-Hvid, ...
see http://www. kjemi. uio. no/software/dalton/dalton. html: University of Oslo,, 2005
189*2005
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 214117, 2020
1882020
Origin invariant calculation of optical rotation without recourse to London orbitals
TB Pedersen, H Koch, L Boman, AMJS de Merás
Chemical physics letters 393 (4-6), 319-326, 2004
1692004
Fast noniterative orbital localization for large molecules
F Aquilante, T Bondo Pedersen, A Sanchez de Meras, H Koch
The Journal of chemical physics 125 (17), 174101, 2006
1532006
Density fitting with auxiliary basis sets from Cholesky decompositions
TB Pedersen, F Aquilante, R Lindh
Theoretical Chemistry Accounts 124 (1-2), 1-10, 2009
1482009
Coupled cluster response functions revisited
TB Pedersen, H Koch
The Journal of chemical physics 106 (19), 8059-8072, 1997
1191997
Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions
TB Pedersen, AMJ Sánchez de Merás, H Koch
The Journal of chemical physics 120 (19), 8887-8897, 2004
1172004
Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
J Kongsted, TB Pedersen, M Strange, A Osted, AE Hansen, KV Mikkelsen, ...
Chemical physics letters 401 (4-6), 385-392, 2005
1102005
Gauge invariant coupled cluster response theory
TB Pedersen, H Koch, C Hättig
The Journal of chemical physics 110 (17), 8318-8327, 1999
1011999
Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide
J Kongsted, TB Pedersen, L Jensen, AE Hansen, KV Mikkelsen
Journal of the American Chemical Society 128 (3), 976-982, 2006
882006
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