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Performance comparison of optimization methods on variational quantum algorithms
Xavier Bonet-Monroig
,
Hao Wang
,
Diederick Vermetten
,
Bruno Senjean
,
Charles Moussa
Article dans une revue
hal-03796370v1
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Toward Density Functional Theory on Quantum Computers ?
Bruno Senjean
,
Saad Yalouz
,
Matthieu Saubanère
Article dans une revue
hal-03796377v1
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Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths
Bruno Senjean
,
Saad Yalouz
,
Naoki Nakatani
,
Emmanuel Fromager
Article dans une revue
hal-03796346v1
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Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver
Saad Yalouz
,
Emiel Koridon
,
Bruno Senjean
,
Benjamin Lasorne
,
Francesco Buda
Article dans une revue
hal-03796328v1
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Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications
Emiel Koridon
,
Saad Yalouz
,
Bruno Senjean
,
Francesco Buda
,
Thomas O'Brien
Article dans une revue
hal-03365850v1
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A state-averaged orbital-optimized hybrid quantum–classical algorithm for a democratic description of ground and excited states
Saad Yalouz
,
Bruno Senjean
,
Jakob Günther
,
Francesco Buda
,
Thomas O’brien
Article dans une revue
hal-03365844v1
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Encoding strongly-correlated many-boson wavefunctions on a photonic quantum computer: application to the attractive Bose-Hubbard model
Saad Yalouz
,
Bruno Senjean
,
Filippo Miatto
,
Vedran Dunjko
Article dans une revue
hal-03796321v1
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Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
Bruno Senjean
,
Souloke Sen
,
Michal Repisky
,
Gerald Knizia
,
Lucas Visscher
Article dans une revue
hal-03365838v1
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Weight Dependence of Local Exchange-Correlation Functionals in Ensemble Density-Functional Theory: Double Excitations in Two-Electron Systems
Clotilde Marut
,
Bruno Senjean
,
Emmanuel Fromager
,
Pierre-François Loos
Article dans une revue
hal-02767530v1
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OpenFermion: the electronic structure package for quantum computers
Jarrod Mcclean
,
Nicholas Rubin
,
Kevin Sung
,
Ian Kivlichan
,
Xavier Bonet-Monroig
Article dans une revue
hal-03796272v1
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N ‐centered ensemble density‐functional theory for open systems
Bruno Senjean
,
Emmanuel Fromager
Article dans une revue
hal-03365736v1
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The DIRAC code for relativistic molecular calculations
Trond Saue
,
Radovan Bast
,
André Severo Pereira Gomes
,
Hans Jørgen Aagaard Jensen
,
Lucas Visscher
Article dans une revue
hal-02481706v2
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Projected site-occupation embedding theory
Bruno Senjean
Article dans une revue
hal-03365728v1
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Calculating energy derivatives for quantum chemistry on a quantum computer
Thomas O’brien
,
Bruno Senjean
,
Ramiro Sagastizabal
,
Xavier Bonet-Monroig
,
Alicja Dutkiewicz
Article dans une revue
hal-03365732v1
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Unified formulation of fundamental and optical gap problems in density-functional theory for ensembles
Bruno Senjean
,
Emmanuel Fromager
Article dans une revue
hal-03365395v1
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Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer
Killian Deur
,
Laurent Mazouin
,
Bruno Senjean
,
Emmanuel Fromager
Article dans une revue
hal-03365394v1
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Multiple impurities and combined local density approximations in site-occupation embedding theory
Bruno Senjean
,
Naoki Nakatani
,
Masahisa Tsuchiizu
,
Emmanuel Fromager
Article dans une revue
hal-03365725v1
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Site-occupation embedding theory using Bethe ansatz local density approximations
Bruno Senjean
,
Naoki Nakatani
,
Masahisa Tsuchiizu
,
Emmanuel Fromager
Article dans une revue
hal-03365386v1
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Local density approximation in site-occupation embedding theory
Bruno Senjean
,
Masahisa Tsuchiizu
,
Vincent Robert
,
Emmanuel Fromager
Article dans une revue
hal-03365365v1
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Combining linear interpolation with extrapolation methods in range-separated ensemble density functional theory
Bruno Senjean
,
Erik Hedegård
,
Md. Mehboob Alam
,
Stefan Knecht
,
Emmanuel Fromager
Article dans une revue
hal-03365360v1
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Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states
Bruno Senjean
,
Stefan Knecht
,
Hans Jørgen Aa. Jensen
,
Emmanuel Fromager
Article dans une revue
hal-03365350v1
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