Quantum Monte Carlo binding energies for silicon hydrides.

被引:0
|
作者
Lester, WA
Greeff, CW
机构
[1] UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720
[2] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:191 / PHYS
页数:2
相关论文
共 50 条
  • [1] Quantum Monte Carlo binding energies for silicon hydrides
    Greeff, CW
    Lester, WA
    JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (15): : 6412 - 6417
  • [2] First-row hydrides: Dissociation and ground state energies using quantum Monte Carlo
    Luchow, A
    Anderson, JB
    JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (17): : 7573 - 7578
  • [3] Silicon carbides, silicon clusters, and exotic silicon hydrides.
    McCarthy, MC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 226 : U730 - U730
  • [4] The oxidation of the silicon hydrides. Part II
    Emeleus, HJ
    Stewart, K
    JOURNAL OF THE CHEMICAL SOCIETY, 1936, : 677 - 684
  • [5] The oxidation of the silicon hydrides. Part I.
    Emeleus, HJ
    Stewart, K
    JOURNAL OF THE CHEMICAL SOCIETY, 1935, : 1182 - 1189
  • [6] Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides
    Kita, Yukiumi
    Maezono, Ryo
    Tachikawa, Masanori
    Towler, Mike D.
    Needs, Richard J.
    JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (05):
  • [7] Benchmarking DFT surface energies with quantum Monte Carlo
    Binnie, S. J.
    Sola, E.
    Alfe, D.
    Gillan, M. J.
    MOLECULAR SIMULATION, 2009, 35 (07) : 609 - 612
  • [8] Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon
    Kent, PRC
    Hood, RQ
    Towler, MD
    Needs, RJ
    Rajagopal, G
    PHYSICAL REVIEW B, 1998, 57 (24) : 15293 - 15302
  • [9] Predicting the electron binding energies of dipole-bound anions via quantum Monte Carlo
    Rubenstein, Brenda
    Hao, Hongxia
    Shee, James
    Upadhyay, Shiv
    Ataca, Can
    Jordan, Kenneth
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [10] Quantum Monte Carlo study of small hydrocarbon atomization energies
    Kollias, AC
    Domin, D
    Hill, G
    Frenklach, M
    Lester, WA
    MOLECULAR PHYSICS, 2006, 104 (03) : 467 - 475