IMPORTANCE SAMPLING IN LOCAL ENERGY CALCULATIONS ON H2

被引：5
|
作者：
EHRENSON, S [1 ]
HARP, GD [1 ]
机构：
[1] BROOKHAVEN NATL LAB,CHEM DEPT,UPTON,NY 11973
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 06期
关键词：
D O I：
10.1002/qua.560070607
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：1099 / 1116
页数：18
相关论文
共 50 条
  • [1] Importance Sampling Methods and Free Energy Calculations
    Chen, Haochuan
    Fu, Haohao
    Shao, Xueguang
    Cai, Wensheng
    PROGRESS IN CHEMISTRY, 2018, 30 (07) : 921 - 931
  • [2] LOCAL ENERGY CALCULATIONS EMPLOYING IMPORTANCE SAMPLING - POSITRONIUM HYDRIDE WAVEFUNCTIONS AS SEVERE TESTS OF METHOD
    EHRENSON, S
    CHEMICAL PHYSICS LETTERS, 1975, 31 (03) : 529 - 534
  • [3] Astrophysical importance of H2
    Dalgarno, A
    MOLECULAR HYDROGEN IN SPACE, 2000, : 3 - 11
  • [4] NO+ + H2: Potential energy surface and bound state calculations
    Orek, Cahit
    Uminski, Marcin
    Klos, Jacek
    Lique, Francois
    Zuchowski, Piotr S.
    Bulut, Niyazi
    CHEMICAL PHYSICS LETTERS, 2021, 771
  • [5] Collisional excitation of NH by H2: Potential energy surface and scattering calculations
    Pirlot, Paul
    Kalugina, Yulia N.
    Ramachandran, Ragav
    Raffy, Guillaume
    Dagdigian, Paul J.
    Lique, Francois
    JOURNAL OF CHEMICAL PHYSICS, 2021, 155 (13):
  • [6] Coupled cluster calculations of the H-/H2 potential energy and dipole moment function
    Moehlen, Patrick K.
    Hinde, Robert J.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [7] Energy transfer and dissociation in H2 + H2: The role of internal energy of the collider
    Mandy, M. E.
    CHEMICAL PHYSICS, 2009, 365 (1-2) : 1 - 10
  • [8] Local vibrational modes of H2 and H2* complexes in crystalline Si
    Kim, YS
    Jin, YG
    Jeong, JW
    Chang, KJ
    SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 1999, 14 (12) : 1042 - 1047
  • [9] QUANTUM CALCULATIONS ON THE OH + H2 REACTION
    CLARY, DC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 203 : 140 - PHYS
  • [10] Relative importance of H2 and H2S as energy sources for primary production in geothermal springs
    D'Imperio, Seth
    Lehr, Corinne R.
    Oduro, Harry
    Druschel, Greg
    Kuhl, Michael
    McDermott, Timothy R.
    APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 2008, 74 (18) : 5802 - 5808
12345