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List of works by Éric Brémond

A power series revisit of the PBE exchange density-functional approximation: The PBEpow model.

scientific article

Accuracy of TD-DFT Geometries: A Fresh Look

scientific article published on 22 June 2018

Adjusting the Local Arrangement of π-Stacked Oligothiophenes through Hydrogen Bonds: A Viable Route to Promote Charge Transfer

scientific article

Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules.

scientific article published on 5 January 2016

Communication: Accurate description of interaction energies and three-body effects in weakly bound molecular complexes by PBE-QIDH models

scientific article published on 01 July 2018

Communication: double-hybrid functionals from adiabatic-connection: the QIDH model

scientific article published on 01 July 2014

Communication: one third: a new recipe for the PBE0 paradigm

scientific article published on 01 January 2013

Communication: rationale for a new class of double-hybrid approximations in density-functional theory

scientific article published on 01 September 2011

Computational Insights into Excited-State Proton-Transfer Reactions in Azo and Azomethine Dyes

scientific article published on 12 November 2015

Cover Image

scientific article published on 21 April 2021

DFT and Proton Transfer Reactions: A Benchmark Study on Structure and Kinetics

scientific article published on 29 August 2012

Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.

scientific article published on 10 April 2017

Double-Hybrid Functionals and Tailored Basis Set: Fullerene (C60) Dimer and Isomers as Test Cases

scientific article published on 12 November 2019

Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0

scientific article published on 01 May 2012

Electronic Energy and Local Property Errors at QTAIM Critical Points while Climbing Perdew’s Ladder of Density-Functional Approximations

scientific article published on 27 December 2021

Excited-State Proton Transfer and Intramolecular Charge Transfer in 1,3-Diketone Molecules.

scientific article published on 11 January 2016

Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics

scientific article published on 07 February 2022

How important is self-consistency for the dDsC density dependent dispersion correction?

scientific article

Impact of Vibronic Couplings on Perceived Colors: Two Anthraquinones as a Working Example

scientific article published on 30 January 2012

Importance of Orbital Optimization for Double-Hybrid Density Functionals: Application of the OO-PBE-QIDH Model for Closed- and Open-Shell Systems

scientific article

Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets.

scientific article published on 12 July 2013

Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.

scientific article published on 12 September 2017

Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists.

scientific article published on 5 August 2016

Optical gap and fundamental gap of oligoynes and carbyne

scientific article published on 23 September 2020

Partnering dispersion corrections with modern parameter-free double-hybrid density functionals

scientific article published on 01 May 2017

Photophysical properties of NIR-emitting fluorescence probes: insights from TD-DFT

scientific article published on 04 April 2013

Quadratic integrand double-hybrid made spin-component-scaled.

scientific article

Range-Separated Double-Hybrid Functional from Nonempirical Constraints

scientific article published on 12 July 2018

Range-separated hybrid and double-hybrid density functionals: A quest for the determination of the range-separation parameter

scientific article published on 01 June 2020

Range-separated hybrid density functionals made simple

scientific article published on 01 May 2019

Seeking for parameter-free double-hybrid functionals: The PBE0-DH model ⬇️

scientific article published on July 14, 2011

Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals

scientific article published on 12 April 2019

Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases.

scientific article published on 4 October 2017

TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes

scientific article published on 23 May 2011

The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes

scientific article published on 01 July 2014

Triangulenium dyes: the comprehensive photo-absorption and emission story of a versatile family of chromophores

scientific article published on 08 September 2020

Visualizing and Quantifying Interactions in the Excited State

scientific article published on 07 November 2016

sp-hybridized carbon allotrope molecular structures: An ongoing challenge for density-functional approximations

scientific article published on 01 December 2019

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