Search filters

List of works by Bastien Mussard

Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation ⬇️

scientific article published in May 2014

Basis convergence of range-separated density-functional theory. ⬇️

scientific article published in February 2015

Cheap and Near Exact CASSCF with Large Active Spaces.

scientific article

Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange Effects. ⬇️

scientific article published on 17 March 2016

Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

scientific article published on 27 August 2009

Erratum: "Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights" [J. Chem. Phys. 142, 154123 (2015)]

scientific article published on 01 June 2015

One-Step Treatment of Spin-Orbit Coupling and Electron Correlation in Large Active Spaces.

scientific article published on 4 December 2017

Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations

scientific article published on 01 August 2019

Recent developments in the PySCF program package

scientific article published on 01 July 2020

Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method

scientific article published on 23 December 2019

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method ⬇️

scientific article published on 01 October 2016

Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights. ⬇️

scientific article published on April 2015

Paulina is supported by:

About Paulina

Help