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Journal of Chemical Theory and Computation|November 22, 2021
Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical OrbitalsMauricio Rodríguez-Mayorga, Ion Mitxelena, Fabien Bruneval, et al.The Journal of Physical Chemistry. B|August 5, 2009
A molecular dynamics study of the early stages of calcium carbonate growthGareth A Tribello, Fabien Bruneval, CheeChin Liew, et al.Journal of Chemical Theory and Computation|March 11, 2021
Improved One-Shot Total Energies from the Linearized GW Density MatrixFabien Bruneval, Mauricio Rodriguez-Mayorga, Patrick Rinke, et al.Journal of Chemical Theory and Computation|June 4, 2020
Extrapolating Unconverged GW Energies up to the Complete Basis Set Limit with Linear RegressionFabien Bruneval, Ivan Maliyov, Clovis Lapointe, et al.Methodsx|April 28, 2025
Comparative Evaluation of Modified Wasserstein GAN-GP and State-of-the-Art GAN Models for Synthesizing Agricultural Weed Images in RGB and Infrared DomainShubham Rana, Matteo GattiThe Journal of Chemical Physics|May 22, 2017
An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximationTonatiuh Rangel, Samia M Hamed, Fabien Bruneval, et al.The Journal of Chemical Physics|February 4, 2025
Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitalsMauricio Rodríguez-Mayorga, Pierre-François Loos, Fabien Bruneval, et al.Journal of Chemical Theory and Computation|April 29, 2016
Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the OligoacenesTonatiuh Rangel, Samia M Hamed, Fabien Bruneval, et al.The Journal of Chemical Physics|August 17, 2018
Photoelectron spectra of copper oxide cluster anions from first principles methodsBin Shi, Shira Weissman, Fabien Bruneval, et al.The Journal of Chemical Physics|January 24, 2016
GW and Bethe-Salpeter study of small water clustersXavier Blase, Paul Boulanger, Fabien Bruneval, et al.Pageof 10