First-principles molecular dynamics on multiple electronic states: a case study of NaI

被引：0
|
作者：
机构：
来源：
J Chem Phys | / 15卷 / 6334期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] First-principles molecular dynamics on multiple electronic states: A case study of NaI
    Martinez, TJ
    Levine, RD
    JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (15): : 6334 - 6341
  • [2] Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics
    Ceotto, Michele
    Atahan, Sule
    Tantardini, Gian Franco
    Aspuru-Guzik, Alan
    JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (23):
  • [3] Efficient first-principles electronic dynamics
    Liang, Wenkel
    Chapman, Craig T.
    Li, Xiaosong
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 242
  • [4] Efficient first-principles electronic dynamics
    Liang, Wenkel
    Chapman, Craig T.
    Li, Xiaosong
    JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (18):
  • [5] First-principles molecular dynamics study of a photochromic molecular crystal
    Frank, I
    Marx, D
    Parrinello, M
    JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (36): : 7341 - 7344
  • [6] First-principles molecular dynamics study on structural and electronic properties of amorphous germanium carbide
    Xu, Zhuo
    Li, Yangping
    Li, Chenxi
    Liu, Zhengtang
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2016, 443 : 125 - 129
  • [7] Electronic processes in fast thermite chemical reactions: A first-principles molecular dynamics study
    Shimojo, Fuyuki
    Nakano, Aiichiro
    Kalia, Rajiv K.
    Vashishta, Priya
    PHYSICAL REVIEW E, 2008, 77 (06):
  • [8] Conformation and electronic structure of DNA in carbon nanotubes: a molecular dynamics and first-principles study
    Zha Goujun
    Zhang Fayun
    MICRO & NANO LETTERS, 2017, 12 (07) : 490 - 493
  • [9] A first-principles molecular dynamics study of calcium in water
    Lightstone, FC
    Schwegler, E
    Allesch, M
    Gygi, F
    Galli, G
    CHEMPHYSCHEM, 2005, 6 (09) : 1745 - 1749
  • [10] First-Principles Study of Electronic States in LiBe2
    Galav, K. L.
    Joshi, K. B.
    DAE SOLID STATE PHYSICS SYMPOSIUM 2015, 2016, 1731
12345