Pablo Baudin
Pablo Baudin
Post Doc, LCBC, EPFL, Lausanne
Verified email at epfl.ch - Homepage
Title
Cited by
Cited by
Year
Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide–Expand–Consolidate CCSD (T) Model
JJ Eriksen, P Baudin, P Ettenhuber, K Kristensen, T Kjærgaard, ...
Journal of chemical theory and computation 11 (7), 2984-2993, 2015
602015
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model
P Baudin, P Ettenhuber, S Reine, K Kristensen, T Kjærgaard
The Journal of chemical physics 144 (5), 054102, 2016
272016
LoFEx—A local framework for calculating excitation energies: Illustrations using RI-CC2 linear response theory
P Baudin, K Kristensen
The Journal of chemical physics 144 (22), 224106, 2016
232016
The divide–expand–consolidate coupled cluster scheme
T Kjærgaard, P Baudin, D Bykov, K Kristensen, P Jørgensen
Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (6), e1319, 2017
182017
Orbital spaces in the divide-expand-consolidate coupled cluster method
P Ettenhuber, P Baudin, T Kjærgaard, P Jørgensen, K Kristensen
The Journal of chemical physics 144 (16), 164116, 2016
172016
Density-functional study of luminescence in polypyridine ruthenium complexes
CM Wawire, D Jouvenot, F Loiseau, P Baudin, S Liatard, L Njenga, ...
Journal of Photochemistry and Photobiology A: Chemistry 276, 8-15, 2014
172014
Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition
P Baudin, JS Marín, IG Cuesta, AMJ Sánchez de Merás
The Journal of chemical physics 140 (10), 104111, 2014
152014
Correlated natural transition orbital framework for low-scaling excitation energy calculations (CorNFLEx)
P Baudin, K Kristensen
The Journal of chemical physics 146 (21), 214114, 2017
102017
A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)
P Baudin, D Bykov, D Liakh, P Ettenhuber, K Kristensen
Molecular Physics 115 (17-18), 2135-2144, 2017
92017
Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires
T Kjærgaard, P Baudin, D Bykov, JJ Eriksen, P Ettenhuber, K Kristensen, ...
Computer Physics Communications 212, 152-160, 2017
82017
Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies
P Baudin, F Pawłowski, D Bykov, D Liakh, K Kristensen, J Olsen, ...
The Journal of chemical physics 150 (13), 134110, 2019
52019
CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx)
P Baudin, T Kjærgaard, K Kristensen
The Journal of chemical physics 146 (14), 144107, 2017
42017
comp_chem_py Documentation
P Baudin
2019
CC_lecture Documentation
P Baudin
2018
Coupled Cluster Theory for Large Molecules
P Baudin
Institut for Kemi, Aarhus Universitet, 2017
2017
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Articles 1–15