We describe a rapidly converging algorithm for solving the Kohn-Sham equations and equations of similar structure that appear frequently in calculations of the structure of inhomogeneous electronic many-body systems. The algorithm has its roots in the Hohenberg-Kohn theorem and solves directly for t
✦ LIBER ✦
A Trust Region Direct Constrained Minimization Algorithm for the Kohn–Sham Equation
✍ Scribed by Yang, Chao; Meza, Juan C.; Wang, Lin-Wang
- Book ID
- 118190103
- Publisher
- Society for Industrial and Applied Mathematics
- Year
- 2007
- Tongue
- English
- Weight
- 254 KB
- Volume
- 29
- Category
- Article
- ISSN
- 1064-8275
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
A rapidly converging algorithm for solvi
✍
J. Auer; E. Krotscheck
📂
Article
📅
1999
🏛
Elsevier Science
🌐
English
⚖ 405 KB
Global convergence without the assumptio
✍
M. M. El-Alem
📂
Article
📅
1995
🏛
Springer
🌐
English
⚖ 657 KB
On the Convergence of a Trust-Region Met
✍
X. J. Tong; L. Qi
📂
Article
📅
2004
🏛
Springer
🌐
English
⚖ 152 KB
A trust region algorithm via bilevel lin
✍
Detong Zhu
📂
Article
📅
2004
🏛
SP Editorial Committee of Applied Mathematics - A
🌐
English
⚖ 624 KB
A Fast Direct Algorithm for the Solution
✍
P. Jones; J. Ma; V. Rokhlin
📂
Article
📅
1994
🏛
Elsevier Science
🌐
English
⚖ 655 KB
An algorithm is presented for the rapid direct solution of the Laplace equation on regions with fractal boundaries. In a typical application, the numerical simulation has to be on a very large scale involving at least tens of thousands of equations with as many unknowns, in order to obtain any meani