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 50 条
  • [41] PROJECTED WAVE-FIELD APPROACH TO MANY-ELECTRON PROBLEM IN SOLIDS
    BASSANI, F
    ROBINSON, J
    GOODMAN, B
    SCHRIEFFER, JR
    PHYSICAL REVIEW, 1962, 127 (06): : 1969 - +
  • [42] SEMISTOCHASTIC APPROACH TO MANY-ELECTRON SYSTEMS
    GROSSJEAN, MK
    GROSSJEAN, MF
    SCHULTEN, K
    TAVAN, P
    JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (03): : 1865 - 1875
  • [43] Natural orbital functional for the many-electron problem
    Goedecker, S
    Umrigar, CJ
    PHYSICAL REVIEW LETTERS, 1998, 81 (04) : 866 - 869
  • [44] Diagrammatic quantum Monte Carlo study of an acoustic lattice polaron
    Hahn, Thomas
    Nagaosa, Naoto
    Franchini, Cesare
    Mishchenko, Andrey S.
    PHYSICAL REVIEW B, 2021, 104 (16)
  • [45] GROUP THEORETICAL TECHNIQUES AND THE MANY-ELECTRON PROBLEM
    DINESHA, KV
    SARMA, CR
    RETTRUP, S
    ADVANCES IN QUANTUM CHEMISTRY, 1981, 14 : 125 - 168
  • [46] Hilbert space renormalization for the many-electron problem
    Li, Zhendong
    Chan, Garnet Kin-Lic
    JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (08):
  • [47] A QUANTUM MONTE-CARLO APPROACH TO MANY-BODY PHYSICS
    VONDERLINDEN, W
    PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1992, 220 (2-3): : 53 - 162
  • [48] The Multistate Quantum Monte Carlo Algebraic Diagrammatic Construction Method
    Kulahlioglu, Adem Halil
    Dreuw, Andreas
    JOURNAL OF PHYSICAL CHEMISTRY A, 2023, 127 (09): : 2161 - 2175
  • [49] Relativistic quantum mechanics of many-electron systems
    Ishikawa, Y
    Vilkas, MJ
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 573 : 139 - 169
  • [50] Some properties of the eigenstates in the many-electron problem
    Szeftel, J
    Khater, A
    PHYSICAL REVIEW B, 1996, 54 (19): : 13581 - 13586