A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem

Kun Chen, Kristjan Haule

Research output: Contribution to journalArticle

Abstract

Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. Here we show that combining both, and introducing a diagrammatic quantum Monte Carlo method, results in a powerful and accurate solver to the generic solid state problem, in which a macroscopic number of electrons interact by the long range Coulomb repulsion. We apply it to the quintessential problem of solid state, the uniform electron gas, which is at the heart of the density functional theory success in describing real materials, yet it has not been adequately solved for over 90 years. Our method allows us to calculate numerically exact momentum and frequency resolved spin and charge response functions. This method can be applied to a number of moderately interacting electron systems, including models of realistic metallic and semiconducting solids.

Original languageEnglish (US)
Article number3725
JournalNature communications
Volume10
Issue number1
DOIs
StatePublished - Dec 1 2019

Fingerprint

Electrons
solid state
Feynman diagrams
Monte Carlo method
electron gas
Monte Carlo Method
Electron gas
electrons
density functional theory
momentum
Density functional theory
Momentum
Monte Carlo methods
Gases

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Physics and Astronomy(all)

Cite this

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A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem. / Chen, Kun; Haule, Kristjan.

In: Nature communications, Vol. 10, No. 1, 3725, 01.12.2019.

Research output: Contribution to journalArticle

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