Search Results

• Parallel Mesh Refinement of Higher Order Finite Elements for Electronic Structure Calculations

  Dier Zhang, Aihui Zhou, Xin-Gao Gong

  2008-11-05

  36800 4143 Pages:1086-1105

• A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations

  Yichen Guo, Lueling Jia, Huajie Chen, Huiyuan Li, Zhimin Zhang

  2021-03-24

  48361 3367 Pages:1541-1569

• Towards Translational Invariance of Total Energy with Finite Element Methods for Kohn-Sham Equation

  Gang Bao, Guanghui Hu, Di Liu

  2018-04-03

  41772 4772 Pages:1-23

• The New Operator Marching Method on Calculating the Electromagnetic Scattered Fields from the Periodic Structures

  Yu Mao Wu, Ke Wei Chen, Jun Hu, Haijing Zhou, Yang Liu, Lijun Yuan

  2019-12-07

  46591 3076 Pages:569-588

• Computational Methods for Electromechanical Fields in Self-Assembled Quantum Dots

  D. Barettin, S. Madsen, B. Lassen, M. Willatzen

  2012-11-01

  42541 4026 Pages:797-830

• Error Estimates of Some Numerical Atomic Orbitals in Molecular Simulations

  Huajie Chen, Reinhold Schneider

  2018-04-03

  42115 4726 Pages:125-146

• Efficient Grid Treatment of the Time Dependent Schrödinger Equation for Laser-Driven Molecular Dynamics

  Fang Li, Xiangying Hao, Xiaogang Li

  2013-05-05

  40863 4294 Pages:1389-1407

• The Competition Between the CDW and the Superconducting State in Valence Skip Compounds

  Izumi Hase, Takashi Yanagisawa, Kenji Kawashima

  2018-08-21

  47400 3268 Pages:773-780

• Zero Temperature Numerical Studies of Multiband Lattice Models of Strongly Correlated Electrons

  Yong-Qiang Wang, Hai-Qing Lin, J. E. Gubernatis

  2006-01-01

  38923 3743 Pages:575-615

• AFEPack: A General-Purpose C++ Library for Numerical Solutions of Partial Differential Equations

  Zhenning Cai, Yun Chen, Yana Di, Guanghui Hu, Ruo Li, Wenbin Liu, Heyu Wang, Fanyi Yang, Chengbao Yao, Hongfei Zhan

  2024-07-29

  25346 2311 Pages:274-318

• Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format

  Jun Fang, Xingyu Gao, Haifeng Song

  2019-07-02

  47256 3230 Pages:1196-1223