Ab-initio molecular dynamics with maximally localized wannier functions.

被引：0
|
作者：
Sharma, M [1 ]
Car, R [1 ]
机构：
[1] Princeton Univ, Frick Lab, Dept Chem, Princeton, NJ 08544 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 226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：
249-COMP
引用
收藏
页码：U462 / U462
页数：1
相关论文
共 50 条
  • [1] Ab initio molecular dynamics with maximally localized Wannier functions
    Sharma, M
    Wu, YD
    Car, R
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2003, 95 (06) : 821 - 829
  • [2] Ab initio transport properties of nanostructures from maximally localized Wannier functions -: art. no. 035108
    Calzolari, A
    Marzari, N
    Souza, I
    Nardelli, MB
    PHYSICAL REVIEW B, 2004, 69 (03)
  • [3] INTRODUCTION TO MAXIMALLY LOCALIZED WANNIER FUNCTIONS
    Ambrosetti, Alberto
    Silvestrelli, Pier Luigi
    REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 29, 2016, 29 : 327 - 368
  • [4] Construction of maximally localized Wannier functions
    Zhu, Junbo
    Chen, Zhu
    Wu, Biao
    FRONTIERS OF PHYSICS, 2017, 12 (05)
  • [5] Construction of maximally localized Wannier functions
    Junbo Zhu
    Zhu Chen
    Biao Wu
    Frontiers of Physics, 2017, 12
  • [6] Maximally localized Wannier functions for GW quasiparticles
    Hamann, D. R.
    Vanderbilt, David
    PHYSICAL REVIEW B, 2009, 79 (04)
  • [7] Maximally localized Wannier functions: Theory and applications
    Marzari, Nicola
    Mostofi, Arash A.
    Yates, Jonathan R.
    Souza, Ivo
    Vanderbilt, David
    REVIEWS OF MODERN PHYSICS, 2012, 84 (04)
  • [8] Maximally localized Wannier functions for photonic lattices
    Whittaker, DM
    Croucher, MP
    PHYSICAL REVIEW B, 2003, 67 (08)
  • [9] Robust determination of maximally localized Wannier functions
    Cances, Eric
    Levitt, Antoine
    Panati, Gianluca
    Stoltz, Gabriel
    PHYSICAL REVIEW B, 2017, 95 (07)
  • [10] Maximally localized exciton Wannier functions for solids
    Haber, Jonah B.
    Qiu, Diana Y.
    da Jornada, Felipe H.
    Neaton, Jeffrey B.
    PHYSICAL REVIEW B, 2023, 108 (12)
12345