UNBIASED ESTIMATORS IN QUANTUM MONTE-CARLO METHODS - APPLICATION TO LIQUID-HE-4

被引:135
作者
CASULLERAS, J
BORONAT, J
机构
[1] Departament de Física i Enginyeria Nuclear, Campus Nord B4-B5, Universitat Politècnica de Catalunya
来源
PHYSICAL REVIEW B | 1995年 / 52卷 / 05期
关键词
D O I
10.1103/PhysRevB.52.3654
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A Monte Carlo algorithm for computing quantum-mechanical expectation values of coordinate operators in many-body problems is presented. The algorithm, which relies on the forward walking method, fits naturally in a Green's function Monte Carlo calculation, i.e., it does not require side walks or a bilinear sampling method. Our method evidences stability regions large enough to accurately sample unbiased pure expectation values. The proposed algorithm yields accurate results when it is applied to test problems such as the hydrogen atom and the hydrogen molecule. An excellent description of several properties of a fully many-body problem such as liquid He-4 at aero temperature is achieved.
引用
收藏
页码:3654 / 3661
页数:8
相关论文
共 27 条
  • [1] ACCURATE INTER-MOLECULAR POTENTIAL FOR HELIUM
    AZIZ, RA
    NAIN, VPS
    CARLEY, JS
    TAYLOR, WL
    MCCONVILLE, GT
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (09) : 4330 - 4342
  • [2] A NEW DETERMINATION OF THE GROUND-STATE INTERATOMIC POTENTIAL FOR HE-2
    AZIZ, RA
    MCCOURT, FRW
    WONG, CCK
    [J]. MOLECULAR PHYSICS, 1987, 61 (06) : 1487 - 1511
  • [3] MONTE-CARLO ALGORITHMS FOR EXPECTATION VALUES OF COORDINATE OPERATORS
    BARNETT, RN
    REYNOLDS, PJ
    LESTER, WA
    [J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1991, 96 (02) : 258 - 276
  • [4] BOONAT J, 1994, PHYS REV B, V49, P8920
  • [5] MONTE-CARLO CALCULATIONS FOR LIQUID-HE-4 AT NEGATIVE-PRESSURE
    BORONAT, J
    CASULLERAS, J
    NAVARRO, J
    [J]. PHYSICAL REVIEW B, 1994, 50 (05): : 3427 - 3430
  • [6] Ceperley D., 1979, MONTE CARLO METHODS
  • [7] STRUCTURE AND COLLECTIVE EXCITATIONS OF HE-4 CLUSTERS
    CHIN, SA
    KROTSCHECK, E
    [J]. PHYSICAL REVIEW B, 1992, 45 (02): : 852 - 874
  • [8] QUADRATIC DIFFUSION MONTE-CARLO ALGORITHMS FOR SOLVING ATOMIC MANY-BODY PROBLEMS
    CHIN, SA
    [J]. PHYSICAL REVIEW A, 1990, 42 (12): : 6991 - 7005
  • [9] GUARDIOLA R, 1988, 1ST INT COURS COND M
  • [10] MODERN POTENTIALS AND THE PROPERTIES OF CONDENSED HE-4
    KALOS, MH
    LEE, MA
    WHITLOCK, PA
    CHESTER, GV
    [J]. PHYSICAL REVIEW B, 1981, 24 (01): : 115 - 130