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List of works by Michel Caffarel

A quantum Monte Carlo study of the reactions of CH with acrolein.

scientific article published on 27 April 2015

Accurate nonrelativistic ground-state energies of 3d transition metal atoms ⬇️

scientific article published on 01 December 2014

Bond breaking and bond making in tetraoxygen: analysis of the O2(X3Sigma(g)-) + O2(X3Sigma(g)-) <==> O4 reaction using the electron pair localization function

scientific article published on 01 August 2009

Chaotic versus nonchaotic stochastic dynamics in Monte Carlo simulations: a route for accurate energy differences in N-body systems

scientific article published on 11 April 2011

Comment on "Feynman-Kac path-integral calculation of the ground-state energies of atoms"

scientific article published in September 1993

Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule ⬇️

scientific article published on 01 April 2016

Development of a pure diffusion quantum Monte Carlo method using a full generalized Feynman–Kac formula. I. Formalism

scientific article published on 15 January 1988

Dynamic polarizabilities and van der Waals coefficients of the 2 (1)S and 2 (3)S metastable states of helium

scientific article published on 01 July 1993

Electron Pair Localization Function (EPLF) for Density Functional Theory and ab Initio Wave Function-Based Methods: A New Tool for Chemical Interpretation

scientific article published on 02 February 2011

Electron pair localization function: a practical tool to visualize electron localization in molecules from quantum Monte Carlo data.

scientific article

Evaluating dynamic multipole polarizabilities and van der Waals dispersion coefficients of two-electron systems with a quantum Monte Carlo calculation: A comparison with some ab initio calculations

scientific article published on 01 May 1993

Exact diagonalization approach to correlated fermions in infinite dimensions: Mott transition and superconductivity

scientific article published on 01 March 1994

Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes

scientific article published on 01 July 2018

Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions ⬇️

scientific article published on 01 January 2015

Gutzwiller wave function for a model of strongly interacting bosons

scientific article published on 01 February 1992

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

scientific article

Improved Monte Carlo estimators for the one-body density.

scientific article published on 26 March 2007

Maximum probability domains from Quantum Monte Carlo calculations

scientific article published on 01 January 2007

Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo.

scientific article published in July 2010

Multireference quantum Monte Carlo study of the O4 molecule

scientific article published on 10 October 2007

On the stability of Be3: a benchmark complete active space self-consistent field + averaged quadratic coupled cluster study.

scientific article published in September 2011

One-dimensional pair hopping and attractive Hubbard models: A comparative study.

scientific article

Quantum Monte Carlo for large chemical systems: implementing efficient strategies for petascale platforms and beyond.

scientific article

Quantum Monte Carlo perturbation calculations of interaction energies

scientific article published on 01 March 1991

Quantum Monte Carlo with Jastrow-valence-bond wave functions

scientific article published on 01 February 2011

Quantum Monte Carlo with very large multideterminant wavefunctions ⬇️

scientific article published on 14 June 2016

Selected configuration interaction dressed by perturbation

scientific article published on 01 August 2018

Six questions on topology in theoretical chemistry

article published in 2015

Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree-Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2 Molecule ⬇️

scientific article published on 03 November 2014

Spin-driven activation of dioxygen in various metalloenzymes and their inspired models

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

Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom

scientific article published on 01 September 2005

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