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Recent developments in the ABINIT software package 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2016, 卷号: 205, 页码: 106-131
作者:  Gonze, X.;  Jollet, F.;  Araujo, F. Abreu;  Adams, D.;  Amadon, B.;  Applencourt, T.;  Audouze, C.;  Beuken, J. -M.;  Bieder, J.;  Bokhanchuk, A.;  Bousquet, E.;  Bruneval, F.;  Caliste, D.;  Cote, M.;  Dahm, F.;  Da Pieve, F.;  Delaveau, M.;  Di Gennaro, M.;  Dorado, B.;  Espejo, C.;  Geneste, G.;  Genovese, L.;  Gerossier, A.;  Giantomassi, M.;  Gillet, Y.;  Hamann, D. R.;  He, L.;  Jomard, G.;  Janssen, J. Laflamme;  Le Roux, S.;  Levitt, A.;  Lherbier, A.;  Liu, F.;  Lukacevic, I.;  Martin, A.;  Martins, C.;  Oliveira, M. J. T.;  Ponce, S.;  Pouillon, Y.;  Rangel, T.;  Rignanese, G. -M.;  Romero, A. H.;  Rousseau, B.;  Rubel, O.;  Shukri, A. A.;  Stankovski, M.;  Torrent, M.;  Van Setten, M. J.;  Van Troeye, B.;  Verstraete, M. J.;  Waroquiers, D.;  Wiktor, J.;  Xu, B.;  Zhou, A.;  Zwanziger, J. W.
收藏  |  浏览/下载:171/0  |  提交时间:2018/07/30
First-principles calculation  Electronic structure  Density Functional Theory  Many-Body Perturbation Theory  
A finite element recovery approach to Green's function approximations with applications to electrostatic potential computation 期刊论文
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2009, 卷号: 225, 期号: 1, 页码: 202-212
作者:  Yang, Ying;  Zhou, Aihui
收藏  |  浏览/下载:100/0  |  提交时间:2018/07/30
Finite element  Green's function  Recovery approach  Three dimensions  Electrostatic potential  Poisson-Boltzmann equation  
Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh 期刊论文
PHYSICS LETTERS A, 2008, 卷号: 372, 期号: 30, 页码: 5071-5076
作者:  Zhang, Dier;  Shen, Lihua;  Zhou, Aihui;  Gong, Xin-Gao
收藏  |  浏览/下载:128/0  |  提交时间:2018/07/30
finite element method  electronic structure calculations  
New error estimates of biquadratic Lagrange elements for Poisson's equation 期刊论文
APPLIED NUMERICAL MATHEMATICS, 2006, 卷号: 56, 期号: 5, 页码: 712-744
作者:  Huang, HT;  Li, ZC;  Zhou, AH
收藏  |  浏览/下载:105/0  |  提交时间:2018/07/30
lagrange elements  biquadratic elements  Poisson's equation  global superconvergence  ultraconvergence