Efficient method for the quantum Monte Carlo evaluation of the static density response function of a many-electron system
- Author(s)
- René Gaudoin, Jose M. Pitarke
- Abstract
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(s)
- Computational Materials Physics
- External organisation(s)
- Basque Research & Technology Alliance (BRTA)
- Journal
- Physical Review B
- Volume
- 81
- No. of pages
- 6
- ISSN
- 1098-0121
- DOI
- https://doi.org/10.1103/PhysRevB.81.245116
- Publication date
- 2010
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103018 Materials physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/efficient-method-for-the-quantum-monte-carlo-evaluation-of-the-static-density-response-function-of-a-manyelectron-system(767bff6c-e905-40a0-afd3-44cfb7a2a184).html