paper

Derivatives of the fixed-node energy

arXiv:cond-mat/0111486

Abstract

We present quantum Monte Carlo calculations of total energy derivatives, consistently performed in the fixed-node approximation. Contributions from nodal displacements, neglected or approximated in previous investigations, are properly taken into account. Their impact on the efficiency is discussed.

4 pages, 3 figures, Proceedings of Quantum Monte Carlo meeting, Trento (Italy) from July 3rd to July 6th, 2001

Derivatives of the fixed-node energy · wovepaper