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State-Averaged Orbital-Optimized VQE: A quantum algorithm for the democratic description of ground and excited electronic states
Martin Beseda
,
Silvie Illésová
,
Saad Yalouz
,
Bruno Senjean
Article dans une revue
hal-04801248
v1
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Performance comparison of optimization methods on variational quantum algorithms
Xavier Bonet-Monroig
,
Hao Wang
,
Diederick Vermetten
,
Bruno Senjean
,
Charles Moussa
et al.
Article dans une revue
hal-03796370
v1
|
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Toward Density Functional Theory on Quantum Computers ?
Bruno Senjean
,
Saad Yalouz
,
Matthieu Saubanère
Article dans une revue
hal-03796377
v1
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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
et al.
Article dans une revue
hal-03796328
v1
|
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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-03796346
v1
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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-03796321
v1
|
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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
et al.
Article dans une revue
hal-03365850
v1
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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
et al.
Article dans une revue
hal-03365844
v1
|
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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-03365838
v1
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OpenFermion: the electronic structure package for quantum computers
Jarrod Mcclean
,
Nicholas Rubin
,
Kevin Sung
,
Ian Kivlichan
,
Xavier Bonet-Monroig
et al.
Article dans une revue
hal-03796272
v1
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N ‐centered ensemble density‐functional theory for open systems
Bruno Senjean
,
Emmanuel Fromager
Article dans une revue
hal-03365736
v1
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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
et al.
Article dans une revue
hal-02481706
v2
|
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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-02767530
v1
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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
et al.
Article dans une revue
hal-03365732
v1
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Projected site-occupation embedding theory
Bruno Senjean
Article dans une revue
hal-03365728
v1
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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-03365386
v1
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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-03365725
v1
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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-03365394
v1
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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-03365395
v1
|
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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-03365365
v1
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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-03365360
v1
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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-03365350
v1
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