Variational minimization scheme for the one-particle reduced density matrix functional theory in the ensemble N-representability domain
Vladaj, Matthieu, Marécat, Quentin, Senjean, Bruno, Saubanère, Matthieu
Published in The Journal of chemical physics (21.08.2024)
Published in The Journal of chemical physics (21.08.2024)
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Journal Article
Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver
Yalouz, Saad, Koridon, Emiel, Senjean, Bruno, Lasorne, Benjamin, Buda, Francesco, Visscher, Lucas
Published in Journal of chemical theory and computation (08.02.2022)
Published in Journal of chemical theory and computation (08.02.2022)
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Journal Article
Local density approximation in site-occupation embedding theory
Senjean, Bruno, Tsuchiizu, Masahisa, Robert, Vincent, Fromager, Emmanuel
Published in Molecular physics (17.01.2017)
Published in Molecular physics (17.01.2017)
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Journal Article
OpenFermion: the electronic structure package for quantum computers
McClean, Jarrod R, Rubin, Nicholas C, Sung, Kevin J, Kivlichan, Ian D, Bonet-Monroig, Xavier, Cao, Yudong, Dai, Chengyu, Fried, E Schuyler, Gidney, Craig, Gimby, Brendan, Gokhale, Pranav, Häner, Thomas, Hardikar, Tarini, Havlíček, Vojtěch, Higgott, Oscar, Huang, Cupjin, Izaac, Josh, Jiang, Zhang, Liu, Xinle, McArdle, Sam, Neeley, Matthew, O'Brien, Thomas, O'Gorman, Bryan, Ozfidan, Isil, Radin, Maxwell D, Romero, Jhonathan, Sawaya, Nicolas P D, Senjean, Bruno, Setia, Kanav, Sim, Sukin, Steiger, Damian S, Steudtner, Mark, Sun, Qiming, Sun, Wei, Wang, Daochen, Zhang, Fang, Babbush, Ryan
Published in Quantum science and technology (01.07.2020)
Published in Quantum science and technology (01.07.2020)
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Journal Article
A state-averaged orbital-optimized hybrid quantum-classical algorithm for a democratic description of ground and excited states
Yalouz, Saad, Senjean, Bruno, Günther, Jakob, Buda, Francesco, O'Brien, Thomas E, Visscher, Lucas
Published in Quantum science and technology (01.04.2021)
Published in Quantum science and technology (01.04.2021)
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Journal Article
Calculating energy derivatives for quantum chemistry on a quantum computer
O’Brien, Thomas E., Senjean, Bruno, Sagastizabal, Ramiro, Bonet-Monroig, Xavier, Dutkiewicz, Alicja, Buda, Francesco, DiCarlo, Leonardo, Visscher, Lucas
Published in npj quantum information (11.12.2019)
Published in npj quantum information (11.12.2019)
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Journal Article
N‐centered ensemble density‐functional theory for open systems
Senjean, Bruno, Fromager, Emmanuel
Published in International journal of quantum chemistry (01.11.2020)
Published in International journal of quantum chemistry (01.11.2020)
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Journal Article
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
Senjean, Bruno, Sen, Souloke, Repisky, Michal, Knizia, Gerald, Visscher, Lucas
Published in Journal of chemical theory and computation (09.03.2021)
Published in Journal of chemical theory and computation (09.03.2021)
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Journal Article
Ensemble Density Functional Theory of Neutral and Charged Excitations
Cernatic, Filip, Senjean, Bruno, Robert, Vincent, Fromager, Emmanuel
Published in Topics in current chemistry (2016) (01.02.2022)
Published in Topics in current chemistry (2016) (01.02.2022)
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