A Quantum Monte Carlo method at fixed energy

被引:2
|
作者
Farhi, Edward [1 ]
Goldstone, Jeffrey [1 ]
Gosset, David [1 ]
Meyer, Harvey B. [1 ,2 ]
机构
[1] MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA
[2] CERN, Dept Phys, CH-1211 Geneva 23, Switzerland
基金
美国国家科学基金会; 加拿大自然科学与工程研究理事会;
关键词
Quantum Monte Carlo; Quantum spin systems; MODEL;
D O I
10.1016/j.cpc.2011.04.021
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
In this paper we explore ways to study the zero temperature limit of quantum statistical mechanics using Quantum Monte Carlo simulations. We develop a Quantum Monte Carlo method in which one fixes the ground state energy as a parameter. The Hamiltonians we consider are of the form H = H-0 + lambda V with ground state energy E. For fixed H-0 and V. one can view E as a function of lambda whereas we view lambda as a function of E. We fix E and define a path integral Quantum Monte Carlo method in which a path makes no reference to the times (discrete or continuous) at which transitions occur between states. For fixed E we can determine lambda(E) and other ground state properties of H. (C) 2011 Elsevier BM. All rights reserved.
引用
收藏
页码:1663 / 1673
页数:11
相关论文
共 50 条
  • [31] Quantum Monte Carlo Method in the Steady State
    Erpenbeck, A.
    Gull, E.
    Cohen, G.
    PHYSICAL REVIEW LETTERS, 2023, 130 (18)
  • [32] MONTE CARLO METHOD IN QUANTUM STATISTICAL MECHANICS
    HANDSCOMB, DC
    PROCEEDINGS OF THE CAMBRIDGE PHILOSOPHICAL SOCIETY, 1962, 58 (OCT): : 594 - &
  • [33] Differential diffusion quantum Monte Carlo method: determination of potential energy surfaces of molecules
    Huang, HX
    Cao, ZX
    Zeng, XB
    Li, ZL
    Zeng, Y
    Yang, ZJ
    CHINESE JOURNAL OF CHEMISTRY, 1999, 17 (03) : 267 - 273
  • [34] A study of potential energy curves from the model space quantum Monte Carlo method
    Ohtsuka, Yuhki
    Ten-no, Seiichiro
    JOURNAL OF CHEMICAL PHYSICS, 2015, 143 (21):
  • [35] Differential diffusion quantum Monte Carlo method: determination of potential energy surfaces of molecules
    黄宏新
    曹泽星
    曾先标
    李泽林
    曾越
    杨志健
    ChineseJournalofChemistry, 1999, (03) : 267 - 273
  • [36] Minimum energy pathways via quantum Monte Carlo
    Saccani, S.
    Filippi, C.
    Moroni, S.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (08):
  • [37] Quantum Monte Carlo calculations of the dimerization energy of borane
    Fracchia, Francesco
    Bressanini, Dario
    Morosi, Gabriele
    JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (09):
  • [38] Quantum Monte Carlo Calculations for Minimum Energy Structures
    Wagner, Lucas K.
    Grossman, Jeffrey C.
    PHYSICAL REVIEW LETTERS, 2010, 104 (21)
  • [39] Linear scaling for the local energy in quantum Monte Carlo
    Manten, S
    Lüchow, A
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (03): : 1307 - 1312
  • [40] An improved algorithm of fixed-node quantum Monte Carlo method with self-optimization process
    Huang, HX
    Liu, SB
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 726 (1-3): : 93 - 97