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A density-fitting implementation of the density-based basis-set correction method
Andreas Hesselmann
,
Emmanuel Giner
,
Peter Reinhardt
,
Peter Knowles
,
Hans-Joachim Werner
Article dans une revue
hal-04210752v2
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Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies
Diata Traore
,
Emmanuel Giner
,
Julien Toulouse
Article dans une revue
hal-04107625v1
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Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
Emmanuel Giner
,
Diata Traore
,
Barthélemy Pradines
,
Julien Toulouse
Journal of Chemical Physics, 2022, 155, pp.044109
Article dans une revue
hal-03234580v1
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Basis-set correction for coupled-cluster estimation of dipole moments
Diata Traore
,
Julien Toulouse
,
Emmanuel Giner
Article dans une revue
hal-03588392v2
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Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model
Diata Traore
,
Emmanuel Giner
,
Julien Toulouse
Article dans une revue
hal-03391682v3
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Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
Emmanuel Giner
,
Diata Traore
,
Barthélemy Pradines
,
Julien Toulouse
Article dans une revue
hal-03453816v1
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Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections
Yuan Yao
,
Emmanuel Giner
,
Tyler Anderson
,
Julien Toulouse
,
C. Umrigar
Article dans une revue
hal-03453822v1
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Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method
Yuan Yao
,
Emmanuel Giner
,
Junhao Li
,
Julien Toulouse
,
C. J Umrigar
Article dans une revue
hal-02991165v1
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Density-Based Basis-Set Incompleteness Correction for GW Methods
Pierre-François Loos
,
Barthélémy Pradines
,
Anthony Scemama
,
Emmanuel Giner
,
Julien Toulouse
Article dans une revue
hal-02346969v1
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Relativistic short-range exchange energy functionals beyond the local-density approximation
Julien Paquier
,
Emmanuel Giner
,
Julien Toulouse
Journal of Chemical Physics, inPress
Article dans une revue
hal-02480263v2
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A basis-set error correction based on density-functional theory for strongly correlated molecular systems
Emmanuel Giner
,
Anthony Scemama
,
Pierre-François Loos
,
Julien Toulouse
Article dans une revue
hal-02458920v2
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A Density-Based Basis-Set Correction for Wave Function Theory
Pierre-François Loos
,
Barthélémy Pradines
,
Anthony Scemama
,
Julien Toulouse
,
Emmanuel Giner
Article dans une revue
hal-02153216v1
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Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron
,
Thomas Applencourt
,
Kevin Gasperich
,
Anouar Benali
,
Anthony Ferté
Article dans une revue
hal-02045595v1
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Chemically Accurate Excitation Energies With Small Basis Sets
Emmanuel Giner
,
Anthony Scemama
,
Julien Toulouse
,
Pierre-Francois Loos
Article dans une revue
hal-02289341v2
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Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density
Anthony Ferté
,
Emmanuel Giner
,
Julien Toulouse
Journal of Chemical Physics, inPress
Article dans une revue
hal-01990358v1
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Curing basis-set convergence of wave-function theory using density-functional theory: a systematically improvable approach
Emmanuel Giner
,
Barthélémy Pradines
,
Anthony Ferté
,
Roland Assaraf
,
Andreas Savin
Article dans une revue
hal-01865504v1
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Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions
Emmanuel Giner
,
Roland Assaraf
,
Julien Toulouse
Article dans une revue
hal-01260326v1
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