A multigrid method for real-space solution of the KohnαSham equations is presented. By using this multiscale approach, the problem of critical slowing down typical of iterative real-space solvers is overcome. The method scales linearly in computer time with the number of electrons if the orbitals ar
β¦ LIBER β¦
MnO+: a challenge for density functional theory methods
β Scribed by Charles W. Bauschlicher Jr.; G. L. Gutsev
- Publisher
- Springer
- Year
- 2002
- Tongue
- English
- Weight
- 81 KB
- Volume
- 107
- Category
- Article
- ISSN
- 1432-2234
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