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

Michel Caffarel (1) , Thomas Applencourt (1) , Emmanuel Giner (2) , Anthony Scemama (1)

1 GMO - Groupe THEO (LCPQ)
2 Dipartimento di Scienze Chimiche e Farmaceutiche

Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule Cite as: J. Chem. Phys. 144, 151103 (2016); https://doi.

Domaines: Chimie théorique et/ou physique

Michel Caffarel, Thomas Applencourt, Emmanuel Giner, Anthony Scemama. Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule. Journal of Chemical Physics, 2016, 144, pp.151103. ⟨10.1063/1.4947093⟩. ⟨hal-01327039⟩