h — P Finite element approximation for full-potential electronic structure calculations

Element Approximation ◽

Full Potential ◽

h−P Finite Element Approximation for Full-Potential Electronic Structure Calculations

Partial Differential Equations: Theory, Control and Approximation ◽

10.1007/978-3-642-41401-5_14 ◽

2014 ◽

pp. 349-377 ◽

Cited By ~ 2

Author(s):

Yvon Maday

Keyword(s):

Finite Element ◽

Electronic Structure ◽

Finite Element Approximation ◽

Element Approximation ◽

Full Potential ◽

A discontinuous Galerkin scheme for full-potential electronic structure calculations

Journal of Computational Physics ◽

10.1016/j.jcp.2019.02.006 ◽

2019 ◽

Vol 385 ◽

pp. 33-50

Author(s):

Xiaoxu Li ◽

Huajie Chen

Keyword(s):

Electronic Structure ◽

Discontinuous Galerkin ◽

Full Potential ◽

Galerkin Scheme ◽

Discontinuous Galerkin Scheme ◽

Gaussian finite-element mixed-basis method for electronic structure calculations

Physical Review B ◽

10.1103/physrevb.71.035113 ◽

2005 ◽

Vol 71 (3) ◽

Cited By ~ 24

Author(s):

Shunsuke Yamakawa ◽

Shi-aki Hyodo

Keyword(s):

Finite Element ◽

Electronic Structure ◽

Basis Method ◽

Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

Physical Review B ◽

10.1103/physrevb.59.12352 ◽

1999 ◽

Vol 59 (19) ◽

pp. 12352-12358 ◽

Cited By ~ 77

Author(s):

J. E. Pask ◽

B. M. Klein ◽

C. Y. Fong ◽

P. A. Sterne

Keyword(s):

Finite Element ◽

Electronic Structure ◽

Solid State ◽

Real Space ◽

Polynomial Basis ◽

Finite Element Approach ◽

Local Polynomial ◽

Element Approach ◽

Lecture Notes in Computational Science and Engineering - Domain Decomposition Methods in Science and Engineering XIX ◽

Interpolation Based Local Postprocessing for Adaptive Finite Element Approximations in Electronic Structure Calculations

10.1007/978-3-642-11304-8_5 ◽

2010 ◽

pp. 51-61 ◽

Cited By ~ 1

Author(s):

Jun Fang ◽

Xingyu Gao ◽

Xingao Gong ◽

Aihui Zhou

Keyword(s):

Finite Element ◽

Electronic Structure ◽

Adaptive Finite Element ◽

Finite Element Approximations ◽

Codoping effect of Li1.1V0.9O2 anodes for lithium-ion batteries with Mo and W (Li1.1V0.9−2xMoxWxO2): Based on electronic structure calculations using full-potential KKR-Green's function method

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2012.02.073 ◽

2012 ◽

Vol 526 ◽

pp. 135-138 ◽

Cited By ~ 3

Author(s):

Hyung Sun Kim ◽

Hannah Song ◽

Ji Kwon Jung ◽

Byung-Ki Na ◽

Byung Won Cho ◽

...

Keyword(s):

Electronic Structure ◽

Lithium Ion Batteries ◽

Green's Function ◽

Function Method ◽

Lithium Ion ◽

Full Potential ◽

Green’S Function Method ◽

Structure Calculations ◽

Full Potential Kkr

Program LMTART for electronic structure calculations

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1524/zkri.220.5.555.65067 ◽

2005 ◽

Vol 220 (5/6) ◽

Cited By ~ 15

Author(s):

Sergej Y. Savrasov

Keyword(s):

Electronic Structure ◽

Computer Program ◽

Orbital Method ◽

Full Potential ◽

Structure Calculations ◽

Linear Muffin Tin Orbital

AbstractA computer program LMTART for electronic structure calculations using full potential linear muffin-tin orbital method is described.

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

Communications in Computational Physics ◽

10.4208/cicp.oa-2020-0020 ◽

2021 ◽

Vol 29 (5) ◽

pp. 1541-1569

Author(s):

Yichen Guo

Keyword(s):

Electronic Structure ◽

Spectral Element Method ◽

Spectral Element ◽

Full Potential ◽

Structure Calculations ◽

Mortar Spectral Element Method ◽

Element Method

Erratum: Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach [Phys. Rev. B59, 12 352 (1999)]

Physical Review B ◽

10.1103/physrevb.68.159901 ◽

2003 ◽

Vol 68 (15) ◽

Author(s):

J. E. Pask ◽

B. M. Klein ◽

C. Y. Fong ◽

P. A. Sterne

Keyword(s):

Finite Element ◽

Electronic Structure ◽

Solid State ◽

Real Space ◽

Polynomial Basis ◽

Finite Element Approach ◽

Local Polynomial ◽

Element Approach ◽

Real-space electronic structure calculations with full-potential all-electron precision for transition metals

Physical Review B ◽

10.1103/physrevb.82.205115 ◽

2010 ◽

Vol 82 (20) ◽

Cited By ~ 34

Author(s):

Tomoya Ono ◽

Marcus Heide ◽

Nicolae Atodiresei ◽

Paul Baumeister ◽

Shigeru Tsukamoto ◽

...

Keyword(s):

Electronic Structure ◽

Transition Metals ◽

Real Space ◽

Full Potential ◽