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Pseudohamiltonians and Quantum Monte Carlo

Published online by Cambridge University Press:  01 January 1992

A. Bosin ,
V. Fiorentini ,
A. Lastri  and
G. B. Bachelet
A. Bosin
Affiliation:
Dipartimento di Scienze Fisiche, Università di Cagliari, 09124 Cagliari, ITALY
V. Fiorentini
Affiliation:
Dipartimento di Scienze Fisiche, Università di Cagliari, 09124 Cagliari, ITALY Fritz-Haber-Institut der Max-Planck-Gesellschaft, W-l Berlin 33, GERMANY
A. Lastri
Affiliation:
Dipartimento di Fisica, Università di Trento, 38050 Povo (TN), ITALY
G. B. Bachelet
Affiliation:
Dipartimento di Fisica, Università di Roma “La Sapienza”, 00185 Roma, ITALY
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 21
Copyright
Copyright © Materials Research Society 1993

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References

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