Derivatives of the fixed-node energy
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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
4 pages, 3 figures, Proceedings of Quantum Monte Carlo meeting, Trento (Italy) from July 3rd to July 6th, 2001