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Efficient method for the quantum Monte Carlo evaluation of the static density response function of a many-electron system

Autor(en)
René Gaudoin, Jose M. Pitarke
Abstrakt

In a recent letter we introduced Hellmann-Feynman operator sampling in diffusion Monte Carlo calculations. Here we derive, by evaluating the second derivative of the total energy, an efficient method for the calculation of the static density-response function of a many-electron system. Our analysis of the effect of the nodes suggests that correlation is described correctly and we find that nodal issues can be dealt with.

Organisation(en)
Computergestützte Materialphysik
Externe Organisation(en)
CIC NanoGUNE
Journal
Physical Review B
Band
81
Anzahl der Seiten
6
ISSN
1098-0121
DOI
https://doi.org/10.1103/PhysRevB.81.245116
Publikationsdatum
2010
Peer-reviewed
Ja
ÖFOS 2012
103018 Materialphysik
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/767bff6c-e905-40a0-afd3-44cfb7a2a184