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

被引:49
作者
Chen, Kun [1 ]
Haule, Kristjan [1 ]
机构
[1] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA
关键词
GROUND-STATE; GAS;
D O I
10.1038/s41467-019-11708-6
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
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.
引用
收藏
页数:7
相关论文
共 38 条
  • [1] MORE IS DIFFERENT - BROKEN SYMMETRY AND NATURE OF HIERARCHICAL STRUCTURE OF SCIENCE
    ANDERSON, PW
    [J]. SCIENCE, 1972, 177 (4047) : 393 - &
  • [2] CONSERVATION LAWS AND CORRELATION FUNCTIONS
    BAYM, G
    KADANOFF, LP
    [J]. PHYSICAL REVIEW, 1961, 124 (02): : 287 - +
  • [3] STATIC DIELECTRIC RESPONSE OF THE ELECTRON-GAS
    BOWEN, C
    SUGIYAMA, G
    ALDER, BJ
    [J]. PHYSICAL REVIEW B, 1994, 50 (20): : 14838 - 14848
  • [4] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
    CEPERLEY, DM
    ALDER, BJ
    [J]. PHYSICAL REVIEW LETTERS, 1980, 45 (07) : 566 - 569
  • [5] Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities
    Chachiyo, Teepanis
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (02)
  • [6] Emergent BCS regime of the two-dimensional fermionic Hubbard model: Ground-state phase diagram
    Deng, Youjin
    Kozik, Evgeny
    Prokof'ev, Nikolay V.
    Svistunov, Boris V.
    [J]. EPL, 2015, 110 (05)
  • [7] SPACE-TIME APPROACH TO QUANTUM ELECTRODYNAMICS
    FEYNMAN, RP
    [J]. PHYSICAL REVIEW, 1949, 76 (06): : 769 - 789
  • [8] EFFECTIVE CLASSICAL PARTITION-FUNCTIONS
    FEYNMAN, RP
    KLEINERT, H
    [J]. PHYSICAL REVIEW A, 1986, 34 (06): : 5080 - 5084
  • [9] SLOW ELECTRONS IN A POLAR CRYSTAL
    FEYNMAN, RP
    [J]. PHYSICAL REVIEW, 1955, 97 (03): : 660 - 665
  • [10] Dynamical mean-field theory within the full-potential methods: Electronic structure of CeIrIn5, CeCoIn5, and CeRhIn5
    Haule, Kristjan
    Yee, Chuck-Hou
    Kim, Kyoo
    [J]. PHYSICAL REVIEW B, 2010, 81 (19)