๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Calculation of signs of structure amplitudes and electron densities using a large computer

โœ Scribed by F. A. Brusentsev

Publisher
SP MAIK Nauka/Interperiodica
Year
1962
Tongue
English
Weight
295 KB
Volume
3
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Very Large Electronic Structure Calculat
Very Large Electronic Structure Calculations Using an Out-of-Core Filter-Diagonalization Method
โœ Sivan Toledo; Eran Rabani ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 122 KB

We present an out-of-core filter-diagonalization method which can be used to solve very large electronic structure problems within the framework of the oneelectron pseudopotential-based methods. The approach is based on the following three steps. First, nonorthogonal states in a desired energy range

Calculation of ใ€ˆpใ€‰ and ใ€ˆpโˆ’1ใ€‰ from variat
Calculation of ใ€ˆpใ€‰ and ใ€ˆpโˆ’1ใ€‰ from variational atomic electron densities
โœ M.Daniel Glossman; Eduardo A. Castro ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 319 KB

Pathak and Cadre discussed the relationship between the electron density p(r) and the expectation values (p) and (p-l). In a previous work by the authors, the Thomas-Fermi-Dirac energydensity functional has been used to assess the effect of the modified Weizsiicker gradient expansion correction on p