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Tomislav Begušić
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Journal Articles

Simulating quantum circuit expectation values by Clifford perturbation theory

Available to Purchase
Tomislav Begušić, Kasra Hejazi, Garnet Kin-Lic Chan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154110 (2025)
https://doi.org/10.1063/5.0269149
Published: April 2025
View articletitled, Simulating quantum circuit expectation values by Clifford perturbation theory
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Journal Articles

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

FeaturedScilightOpen Access
Yair Litman, Venkat Kapil, Yotam M. Y. Feldman, Davide Tisi, Tomislav Begušić, Karen Fidanyan, Guillaume Fraux, Jacob Higer, Matthias Kellner, Tao E. Li, Eszter S. Pós, Elia Stocco, George Trenins, Barak Hirshberg, Mariana Rossi, Michele Ceriotti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 062504 (2024)
https://doi.org/10.1063/5.0215869
Published: August 2024
View articletitled, i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations
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Journal Articles

Equilibrium–nonequilibrium ring-polymer molecular dynamics for nonlinear spectroscopy

Free
Tomislav Begušić, Xuecheng Tao, Geoffrey A. Blake, Thomas F. Miller, III
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 131102 (2022)
https://doi.org/10.1063/5.0087156
Published: April 2022
View articletitled, Equilibrium–nonequilibrium ring-polymer molecular dynamics for nonlinear spectroscopy
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Includes: Supplementary data
Journal Articles

On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

Open Access
Tomislav Begušić, Jiří Vaníček
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 184110 (2020)
https://doi.org/10.1063/5.0031216
Published: November 2020
View articletitled, On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy
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Includes: Supplementary data
Journal Articles

On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature

FeaturedOpen Access
Tomislav Begušić, Jiří Vaníček
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 024105 (2020)
https://doi.org/10.1063/5.0013677
Published: July 2020
View articletitled, On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
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Journal Articles

Single-Hessian thawed Gaussian approximation

Open Access
Tomislav Begušić, Manuel Cordova, Jiří Vaníček
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 154117 (2019)
https://doi.org/10.1063/1.5090122
Published: April 2019
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Journal Articles

On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra

Open Access
Tomislav Begušić, Julien Roulet, Jiří Vaníček
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 244115 (2018)
https://doi.org/10.1063/1.5054586
Published: December 2018
View articletitled, On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra
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Includes: Supplementary data