Recent advances in quantum Monte Carlo for quantum chemistry: Optimization of wave functions and calculation of observables

被引：0
|
作者：
Toulouse, Julien [1 ]
Umrigar, Cyrus J. [3 ]
Assaraf, Roland [2 ]
机构：
[1] Univ Paris 06, Theoret Chem Lab, F-75005 Paris, France
[2] CNRS, Theoret Chem Lab, F-75005 Paris, France
[3] Cornell Univ, Atom & Solid State Phys Lab, Ithaca, NY 14853 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2009年 / 237卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
89-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Optimization of Gutzwiller wave functions in quantum Monte Carlo
    Koch, E
    Gunnarsson, O
    Martin, RM
    [J]. PHYSICAL REVIEW B, 1999, 59 (24) : 15632 - 15640
  • [2] Optimization of quantum Monte Carlo wave functions by energy minimization
    Toulouse, Julien
    Umrigar, C. J.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (08):
  • [3] Recent advances in determinant quantum Monte Carlo
    Chang, Chia-Chen
    Gogolenko, Sergiy
    Perez, Jeffrey
    Bai, Zhaojun
    Scalettar, Richard T.
    [J]. PHILOSOPHICAL MAGAZINE, 2015, 95 (12) : 1260 - 1281
  • [4] Multideterminant Wave Functions in Quantum Monte Carlo
    Morales, Miguel A.
    McMinis, Jeremy
    Clark, Bryan K.
    Kim, Jeongnim
    Scuseria, Gustavo E.
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2012, 8 (07) : 2181 - 2188
  • [5] Quantum Monte Carlo: Direct calculation of corrections to trial wave functions and their energies
    Anderson, JB
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (22): : 9699 - 9702
  • [6] Optimization of quantum Monte Carlo wave functions using analytical energy derivatives
    Lin, X
    Zhang, HK
    Rappe, AM
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (06): : 2650 - 2654
  • [7] Optimization of quantum Monte Carlo trial wave functions by energy minimization.
    Prendergast, DG
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 226 : U294 - U294
  • [8] Trial wave functions for the calculation of vibrational states of molecules using quantum Monte Carlo
    da Silva, WB
    Acioli, PH
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (22): : 9720 - 9724
  • [9] Spin contamination in quantum Monte Carlo wave functions
    Huang, CJ
    Filippi, C
    Umrigar, CJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (21): : 8838 - 8847
  • [10] Quantum Monte Carlo Methods in Nuclear Physics: Recent Advances
    Lynn, J. E.
    Tews, I.
    Gandolfi, S.
    Lovato, A.
    [J]. ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE, VOL 69, 2019, 69 : 279 - 305
12345