Pseudohamiltonians and Quantum Monte Carlo

Abstract

A new method is presented for the generation of valence-only local hamiltonians, or pseudohamiltonians, within the DFT-LDA framework. At the moment these promise to be very useful tools to overcome the problem of eliminating the core electrons from many QMC calculations.

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Acknowledgments

This work was partially supported by the Italian National research Council (CNR) through “Progetto Finalizzato Sistemi Informatici e Calcolo Parallelo” under grants no. 89.0006.69 and 89.00051.69.

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Correspondence to A. Bosin.

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Bosin, A., Fiorentini, V., Lastri, A. et al. Pseudohamiltonians and Quantum Monte Carlo. MRS Online Proceedings Library 291, 21–26 (1992). https://doi.org/10.1557/PROC-291-21

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