Derivatives of the fixed-node energy

Details Derivatives of the fixed-node energy Derivatives of the fixed-node energy

2001-11-26

arxiv.org/abs/cond-mat/0111486v1

Physics

Condensed Matter

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

Scientific paper

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.

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