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List of works by Anthony Scemama

A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves.

scientific article published in June 2017

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

scientific article published on 01 May 2020

A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism ⬇️

scientific article published on 01 February 2016

Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster. ⬇️

scientific article published in April 2017

Chemically accurate excitation energies with small basis sets

scientific article published on 01 October 2019

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

Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes

scientific article published on 01 July 2018

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

scientific article published on 26 July 2021

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

scientific article

Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes

scientific article published on 26 January 2022

Selected configuration interaction dressed by perturbation

scientific article published on 01 August 2018

Tailoring CIPSI Expansions for QMC Calculations of Electronic Excitations: The Case Study of Thiophene

scientific article published on 24 May 2021

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

scientific article published on 01 November 2020

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

scientific article published on 01 November 2020

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

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