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
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 213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：
引用
收藏
页码：191 / PHYS
页数：2
相关论文
共 50 条
  • [41] Isotopic effect on the lattice constant of silicon - A quantum Monte Carlo simulation
    Herrero, CP
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 2000, 220 (02): : 857 - 867
  • [42] Quantum Monte Carlo calculations of nanostructure optical gaps: Application to silicon quantum dots
    Williamson, AJ
    Grossman, JC
    Hood, RQ
    Puzder, A
    Galli, G
    PHYSICAL REVIEW LETTERS, 2002, 89 (19) : 1 - 196803
  • [43] Quantum Ensemble Monte Carlo simulation of silicon-based nanodevices
    C. Sampedro
    F. Gámiz
    A. Godoy
    F. Jiménez-Molinos
    Journal of Computational Electronics, 2007, 6 : 41 - 44
  • [44] Coupling Quantum Monte Carlo for electrons with Monte Carlo for Ions
    Ceperley, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
  • [45] Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide
    Yoshida, T
    Miyako, G
    Jiang, N
    Schrader, DM
    PHYSICAL REVIEW A, 1996, 54 (01) : 964 - 966
  • [46] Binding and excitations in SixHy molecular systems using quantum Monte Carlo
    Wang, Guangming
    Annaberdiyev, Abdulgani
    Mitas, Lubos
    JOURNAL OF CHEMICAL PHYSICS, 2020, 153 (14):
  • [47] Calculation of the energies of the multideterminant states of the nitrogen vacancy center in diamond with quantum Monte Carlo
    Simula, K. A.
    Makkonen, I.
    PHYSICAL REVIEW B, 2023, 108 (09)
  • [48] Quantum Monte Carlo Calculations of Bond Dissociation Energies for Some Nitro and Amino Molecules
    Zhang, Hong
    Cheng, Xin-Lu
    Chiesa, Simone
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 111 (15) : 4452 - 4456
  • [49] Quantum Monte Carlo study of heats of formation and bond dissociation energies of small hydrocarbons
    Kollias, AC
    Domin, D
    Hill, G
    Frenklach, M
    Golden, DM
    Lester, WA
    INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2005, 37 (10) : 583 - 592
  • [50] Prediction of Excited State Energies for Molecular Nitrogen Using Quantum Monte Carlo Methods
    Fayton, Floyd A., Jr.
    Gibson, Ainsley A.
    Harkless, John A. W.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2009, 109 (01) : 43 - 49
12345