user

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
  • [21] Quantum Monte Carlo tunneling from quantum chemistry to quantum annealing
    Mazzola, Guglielmo
    Smelyanskiy, Vadim N.
    Troyer, Matthias
    [J]. PHYSICAL REVIEW B, 2017, 96 (13)
  • [22] Quantum chemistry without wave functions:: Diffusion Monte Carlo applied to H and H2+
    Cuthbert, HL
    Rothstein, SM
    [J]. JOURNAL OF CHEMICAL EDUCATION, 1999, 76 (10) : 1378 - 1379
  • [23] Optimized wave functions for quantum Monte Carlo studies of atoms and solids
    Williamson, AJ
    Kenny, SD
    Rajagopal, G
    James, AJ
    Needs, RJ
    Fraser, LM
    Foulkes, WMC
    Maccullum, P
    [J]. PHYSICAL REVIEW B, 1996, 53 (15): : 9640 - 9648
  • [24] Quantum Monte Carlo with Jastrow-valence-bond wave functions
    Braida, Benoit
    Toulouse, Julien
    Caffarel, Michel
    Umrigar, C. J.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (08):
  • [25] Symmetry-projected wave functions in quantum Monte Carlo calculations
    Shi, Hao
    Jimenez-Hoyos, Carlos A.
    Rodriguez-Guzman, R.
    Scuseria, Gustavo E.
    Zhang, Shiwei
    [J]. PHYSICAL REVIEW B, 2014, 89 (12)
  • [26] Tunneling in projective quantum Monte Carlo simulations with guiding wave functions
    Parolini, T.
    Inack, E. M.
    Giudici, G.
    Pilati, S.
    [J]. PHYSICAL REVIEW B, 2019, 100 (21)
  • [27] Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
    Kessler, Jan
    Calcavecchia, Francesco
    Kuehne, Thomas D.
    [J]. ADVANCED THEORY AND SIMULATIONS, 2021, 4 (04)
  • [28] Robust wave function optimization procedures in quantum Monte Carlo methods
    Bressanini, D
    Morosi, G
    Mella, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (13): : 5345 - 5350
  • [29] Optimization of Quantum Monte Carlo Wave Function:. Steepest Descent Method
    Foulaadvand, M. Ebrahim
    Zarenia, Mohammad
    [J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2010, 21 (04): : 523 - 533
  • [30] Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo
    Dash, Monika
    Moroni, Saverio
    Scemama, Anthony
    Filippi, Claudia
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (08) : 4176 - 4182
12345