Publications by authors named "Pablo Baudin"

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Machine learning-enhanced multiple time-step ab initio molecular dynamics.
François Mouvet, Nicholas J Browning, Pablo Baudin, Elisa Liberatore, Ursula Rothlisberger

J Chem Phys· November 2025

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A theoretical perspective of the ultrafast transient absorption dynamics of CsPbBr.
Ariadni Boziki, Pablo Baudin, Elisa Liberatore, Negar Ashari Astani, Ursula Rothlisberger

J Comput Chem· March 2022

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A multiple time step algorithm for trajectory surface hopping simulations.
Pablo Baudin, François Mouvet, Ursula Rothlisberger

J Chem Phys· January 2022

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Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies.
Pablo Baudin, Filip Pawłowski, Dmytro Bykov, Dmitry Liakh, Kasper Kristensen

J Chem Phys· April 2019

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Correlated natural transition orbital framework for low-scaling excitation energy calculations (CorNFLEx).
Pablo Baudin, Kasper Kristensen

J Chem Phys· June 2017

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CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx).
Pablo Baudin, Thomas Kjærgaard, Kasper Kristensen

J Chem Phys· April 2017

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LoFEx - A local framework for calculating excitation energies: Illustrations using RI-CC2 linear response theory.
Pablo Baudin, Kasper Kristensen

J Chem Phys· June 2016

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Orbital spaces in the divide-expand-consolidate coupled cluster method.
Patrick Ettenhuber, Pablo Baudin, Thomas Kjærgaard, Poul Jørgensen, Kasper Kristensen

J Chem Phys· April 2016

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Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model.
Pablo Baudin, Patrick Ettenhuber, Simen Reine, Kasper Kristensen, Thomas Kjærgaard

J Chem Phys· February 2016

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Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model.
Janus J Eriksen, Pablo Baudin, Patrick Ettenhuber, Kasper Kristensen, Thomas Kjærgaard

J Chem Theory Comput· July 2015

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Calculation of excitation energies from the CC2 linear response theory using Cholesky decomposition.
Pablo Baudin, José Sánchez Marín, Inmaculada García Cuesta, Alfredo M J Sánchez de Merás

J Chem Phys· March 2014

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