Finite element methods in ab initio electronic structure calculations

By John E. Pask, P. Sterne. 2005

150 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Inorganic Chemistry, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/2a9fe93949b0cd8f8127fff67709e2f25e73a660

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. X. Gong
2. Venera Khoromskaia
3. Aihui Zhou
4. Huajie Chen
5. Boris N. Khoromskij
6. Ivan V. Oseledets

In Inorganic Chemistry

1. X. Gong
2. Aihui Zhou
3. Huajie Chen

In Materials Chemistry

1. X. Gong
2. Aihui Zhou
3. Huajie Chen

Citations in the corpus

• Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model (2010, methodology): “In this paper, we will carry out the electronic structure calculation based on the finite element discretization [4, 11, 19, 40, 41, 49, 50].”
• Approximation of the electron density of Aluminium clusters in tensor-product format (2012, background): “More recently, finite elements are becoming a popular basis set for the computation of the electronic-structure of materials, especially in non-periodic systems [8, 9, 24, 26].”