A Finite Element Recovery Approach to Eigenvalue Approximations with Applications to Electronic Structure Calculations

Jun Fang; Xingyu Gao; Aihui Zhou

doi:10.1007/s10915-012-9640-5

A Finite Element Recovery Approach to Eigenvalue Approximations with Applications to Electronic Structure Calculations

Journal of Scientific Computing ◽

10.1007/s10915-012-9640-5 ◽

2012 ◽

Vol 55 (2) ◽

pp. 432-454 ◽

Cited By ~ 2

Author(s):

Jun Fang ◽

Xingyu Gao ◽

Aihui Zhou

Keyword(s):

Finite Element ◽

Electronic Structure ◽

Electronic Structure Calculations ◽

Recovery Approach ◽

Structure Calculations

Download Full-text

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 ◽

Electronic Structure Calculations ◽

Basis Method ◽

Structure Calculations

Download Full-text

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 ◽

Electronic Structure Calculations ◽

Real Space ◽

Polynomial Basis ◽

Finite Element Approach ◽

Local Polynomial ◽

Element Approach ◽

Structure Calculations

Download Full-text

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

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

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 ◽

Electronic Structure Calculations ◽

Adaptive Finite Element ◽

Finite Element Approximations ◽

Structure Calculations

Download Full-text

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

Chinese Annals of Mathematics Series B ◽

10.1007/s11401-013-0819-3 ◽

2014 ◽

Vol 35 (1) ◽

pp. 1-24 ◽

Cited By ~ 3

Author(s):

Yvon Maday

Keyword(s):

Finite Element ◽

Electronic Structure ◽

Finite Element Approximation ◽

Electronic Structure Calculations ◽

Element Approximation ◽

Full Potential ◽

Structure Calculations

Download Full-text

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 ◽

Electronic Structure Calculations ◽

Real Space ◽

Polynomial Basis ◽

Finite Element Approach ◽

Local Polynomial ◽

Element Approach ◽

Structure Calculations

Download Full-text

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 ◽

Electronic Structure Calculations ◽

Element Approximation ◽

Full Potential ◽

Structure Calculations

Download Full-text

Finite Element Method in Density Functional Theory Electronic Structure Calculations

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_12 ◽

2011 ◽

pp. 199-217 ◽

Cited By ~ 2

Author(s):

Jiří Vackář ◽

Ondřej Čertík ◽

Robert Cimrman ◽

Matyáš Novák ◽

Ondřej Šipr ◽

...

Keyword(s):

Finite Element Method ◽

Density Functional Theory ◽

Finite Element ◽

Electronic Structure ◽

Density Functional ◽

Electronic Structure Calculations ◽

Functional Theory ◽

Structure Calculations ◽

Element Method

Download Full-text

Electronic-structure calculations based on the finite-element method

Physical Review B ◽

10.1103/physrevb.52.5573 ◽

1995 ◽

Vol 52 (8) ◽

pp. 5573-5578 ◽

Cited By ~ 82

Author(s):

Eiji Tsuchida ◽

Masaru Tsukada

Keyword(s):

Finite Element Method ◽

Finite Element ◽

Electronic Structure ◽

Electronic Structure Calculations ◽

The Finite Element Method ◽

Structure Calculations ◽

Element Method

Download Full-text

Large-Scale Electronic-Structure Calculations Based on the Adaptive Finite-Element Method

Journal of the Physical Society of Japan ◽

10.1143/jpsj.67.3844 ◽

1998 ◽

Vol 67 (11) ◽

pp. 3844-3858 ◽

Cited By ~ 90

Author(s):

Eiji Tsuchida ◽

Masaru Tsukada

Keyword(s):

Finite Element Method ◽

Finite Element ◽

Electronic Structure ◽

Large Scale ◽

Electronic Structure Calculations ◽

Adaptive Finite Element Method ◽

Adaptive Finite Element ◽

Structure Calculations ◽

Element Method

Download Full-text

Electronic Structure Calculations for Antiferromagnetism of Cuprates Using SIWB Method for Anions in DV and a Density Functional Theory Confirming from Finite Element Method

Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2014.07.001 ◽

2015 ◽

pp. 1-29 ◽

Cited By ~ 1

Author(s):

Kimichika Fukushima

Keyword(s):

Finite Element Method ◽

Density Functional Theory ◽

Finite Element ◽

Electronic Structure ◽

Density Functional ◽

Electronic Structure Calculations ◽

Functional Theory ◽

Structure Calculations ◽

Element Method

Download Full-text