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Interaction Picture Density Matrix Quantum Monte Carlo
- Source :
- J. Chem. Phys. 143, 044116 (2015)
- Publication Year :
- 2015
-
Abstract
- The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samples the N -body thermal density matrix and hence provides access to exact properties of many-particle quantum systems at arbitrary temperatures. We demonstrate that moving to the interaction picture provides substantial benefits when applying DMQMC to interacting fermions. In this first study, we focus on a system of much recent interest: the uniform electron gas in the warm dense regime. The basis set incompleteness error at finite temperature is investigated and extrapolated via a simple Monte Carlo sampling procedure. Finally, we provide benchmark calculations for a four-electron system, comparing our results to previous work where possible.<br />Comment: Minor text modifications and added deviation subplot to Fig. 9 following referee's review comments. Include link to supplementary material in references
- Subjects :
- Condensed Matter - Strongly Correlated Electrons
Physics - Chemical Physics
Subjects
Details
- Database :
- arXiv
- Journal :
- J. Chem. Phys. 143, 044116 (2015)
- Publication Type :
- Report
- Accession number :
- edsarx.1506.03057
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1063/1.4927434