List of works - Pierre-François Loos

A Density-Based Basis-Set Correction for Wave Function Theory

scientific article published on 22 May 2019

A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Bicyclic Systems

scientific article published in 2021

A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules

scientific article published on 06 February 2020

A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks

scientific article published on 20 July 2018

A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4

scientific article published on 23 June 2022

A basis-set error correction based on density-functional theory for strongly correlated molecular systems

scientific article published on 01 May 2020

A weight-dependent local correlation density-functional approximation for ensembles

scientific article published on 01 June 2020

Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein

scientific article published on 01 June 2009

Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies

scientific article published on 25 March 2022

Basis functions for electronic structure calculations on spheres. ⬇️

scientific article published in December 2014

Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments

scientific article published on 25 January 2021

Capturing static and dynamic correlation with ΔNO-MP2 and ΔNO-CCSD

scientific article published on 01 January 2020

Chemically Accurate 0-0 Energies with Not-so-Accurate Excited State Geometries

scientific article published on 07 March 2019

Chemically accurate excitation energies with small basis sets

scientific article published on 01 October 2019

Chemistry in one dimension ⬇️

scientific article published on 01 February 2015

Communication: Three-electron coalescence points in two and three dimensions ⬇️

scientific article published on 01 November 2015

Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states

scientific article published on 01 January 2019

Correlation energy of two electrons in a ball.

scientific article published in June 2010

Correlation energy of two electrons in the high-density limit.

scientific article published in December 2009

Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies

scientific article published on 16 July 2019

Density-Based Basis-Set Incompleteness Correction for GW Methods

scientific article published on 13 January 2020

Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS.

scientific article published on 27 January 2018

Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation

scientific article published on 01 September 2020

Dynamical kernels for optical excitations

scientific article published on 01 November 2020

Exact wave functions of two-electron quantum rings.

scientific article published on 23 February 2012

Exchange functionals based on finite uniform electron gases.

scientific article

Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster

scientific article published on 26 July 2021

Excited-state Wigner crystals

scientific article published on 01 January 2017

Green Functions and Self-Consistency: Insights From the Spherium Model

scientific article published on 23 May 2018

High-density correlation energy expansion of the one-dimensional uniform electron gas

scientific article published on 01 February 2013

Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation

scientific article published on 01 August 2008

Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory.

scientific article

Invariance of the correlation energy at high density and large dimension in two-electron systems

scientific article published on 07 September 2010

Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?

scientific article published on 23 January 2020

Iterative stochastic subspace self-consistent field method.

scientific article published on 2 May 2017

Many-Electron Integrals over Gaussian Basis Functions. I. Recurrence Relations for Three-Electron Integrals ⬇️

scientific article published on 16 March 2016

Molecular electronic structure in one-dimensional Coulomb systems

scientific article published on 20 January 2017

Mountaineering Strategy to Excited States: Highly Accurate Oscillator Strengths and Dipole Moments of Small Molecules

scientific article published on 30 November 2020

Natural occupation numbers in two-electron quantum rings

scientific article published on 01 February 2016

Nodal surfaces and interdimensional degeneracies. ⬇️

scientific article published in June 2015

Parity-Time Symmetry in Hartree-Fock Theory

scientific article published on 01 July 2019

Potential Energy Surfaces without Unphysical Discontinuities: The Coulomb Hole Plus Screened Exchange Approach

scientific article published on 11 December 2020

Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies

scientific article published on 16 April 2020

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

scientific article published on 29 May 2019

Reference Energies for Double Excitations

scientific article published on 13 February 2019

Reference Energies for Intramolecular Charge-Transfer Excitations

scientific article published on 06 May 2021

Self-Consistent Strictly Localized Orbitals

scientific article published on 01 May 2007

Spin-Conserved and Spin-Flip Optical Excitations from the Bethe–Salpeter Equation Formalism

scientific article published on 17 March 2021

Taming the fixed-node error in diffusion Monte Carlo via range separation

scientific article published on 01 November 2020

The Quest for Highly Accurate Excitation Energies: A Computational Perspective

scientific article published on 10 March 2020

The performance of CIPSI on the ground state electronic energy of benzene

scientific article published on 01 November 2020

Theoretical 0–0 Energies with Chemical Accuracy

scientific article published on 02 August 2018

Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain.

scientific article published in April 2008

Thinking outside the box: the uniform electron gas on a hypersphere

scientific article published on 01 December 2011

Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations

scientific article published in July 2017

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond

scientific article published on 01 November 2020

Two Electrons on a Hypersphere: A Quasiexactly Solvable Model

scientific article

Uniform electron gases. I. Electrons on a ring

scientific article published on 01 April 2013

Uniform electron gases. II. The generalized local density approximation in one dimension ⬇️

scientific article published on 01 May 2014

Uniform electron gases. III. Low-density gases on three-dimensional spheres ⬇️

scientific article published on 01 August 2015

Unphysical Discontinuities in GW Methods

scientific article published on 26 September 2018

Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems

scientific article published on 10 September 2020

List of works by Pierre-François Loos

A Density-Based Basis-Set Correction for Wave Function Theory

A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Bicyclic Systems

A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules

A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks

A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4

A basis-set error correction based on density-functional theory for strongly correlated molecular systems

A weight-dependent local correlation density-functional approximation for ensembles

Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein

Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies

Basis functions for electronic structure calculations on spheres. ⬇️

Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments

Capturing static and dynamic correlation with ΔNO-MP2 and ΔNO-CCSD

Chemically Accurate 0-0 Energies with Not-so-Accurate Excited State Geometries

Chemically accurate excitation energies with small basis sets

Chemistry in one dimension ⬇️

Communication: Three-electron coalescence points in two and three dimensions ⬇️

Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states

Correlation energy of two electrons in a ball.

Correlation energy of two electrons in the high-density limit.

Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies

Density-Based Basis-Set Incompleteness Correction for GW Methods

Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS.

Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation

Dynamical kernels for optical excitations

Exact wave functions of two-electron quantum rings.

Exchange functionals based on finite uniform electron gases.

Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster

Excited-state Wigner crystals

Green Functions and Self-Consistency: Insights From the Spherium Model

High-density correlation energy expansion of the one-dimensional uniform electron gas

Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation

Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory.

Invariance of the correlation energy at high density and large dimension in two-electron systems

Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?

Iterative stochastic subspace self-consistent field method.

Many-Electron Integrals over Gaussian Basis Functions. I. Recurrence Relations for Three-Electron Integrals ⬇️

Molecular electronic structure in one-dimensional Coulomb systems

Mountaineering Strategy to Excited States: Highly Accurate Oscillator Strengths and Dipole Moments of Small Molecules

Natural occupation numbers in two-electron quantum rings

Nodal surfaces and interdimensional degeneracies. ⬇️

Parity-Time Symmetry in Hartree-Fock Theory

Potential Energy Surfaces without Unphysical Discontinuities: The Coulomb Hole Plus Screened Exchange Approach

Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

Reference Energies for Double Excitations

Reference Energies for Intramolecular Charge-Transfer Excitations

Self-Consistent Strictly Localized Orbitals

Spin-Conserved and Spin-Flip Optical Excitations from the Bethe–Salpeter Equation Formalism

Taming the fixed-node error in diffusion Monte Carlo via range separation

The Quest for Highly Accurate Excitation Energies: A Computational Perspective

The performance of CIPSI on the ground state electronic energy of benzene

Theoretical 0–0 Energies with Chemical Accuracy

Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain.

Thinking outside the box: the uniform electron gas on a hypersphere

Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond

Two Electrons on a Hypersphere: A Quasiexactly Solvable Model

Uniform electron gases. I. Electrons on a ring

Uniform electron gases. II. The generalized local density approximation in one dimension ⬇️

Uniform electron gases. III. Low-density gases on three-dimensional spheres ⬇️

Unphysical Discontinuities in GW Methods

Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems