A simple extrapolation method
β Scribed by B.L. Burrows; M. Cohen
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 512 KB
- Volume
- 236
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
A new simple algorithm to extrapolate the electronic charge density in ab initio molecular dynamics runs is proposed. The self-consistent charge density is decomposed in two parts, the first part is the sum of the atomic charge densities, and the second is its difference with the latter. The charge
This monograph originated from a course given at the State Universities of Krasnoyarsk and Novosibirsk; an early version appeared as 'Methods of Computational Mathematics' by the first author and was published by Nauka Publishing House, 1977 (in Russian). At the beginning of the century, Richardson