Structure of the electron momentum density of atomic systems
β Scribed by E. Romera; Toshikatsu Koga; J.S. Dehesa
- Book ID
- 113044548
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 123 KB
- Volume
- 42
- Category
- Article
- ISSN
- 1434-6060
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π SIMILAR VOLUMES
## Abstract Alternative techniques are presented for the evaluation of the electron momentum density (EMD) of crystalline systems from __ab initio__ linear combination of atomicβorbitals calculations performed in the frame of oneβelectron selfβconsistentβfield Hamiltonians. Their respective merits
The average electron density in momentum space, viz. ( y ), where y(p) is the electron momentum density, is defined and shown to be experimentally measureable. The connection is obtained via the relation 8x'(y) =JB\*(s) d.r, where B(s) is the reciprocal form factor. The approximate relationships (p)
The Jastrow-Feenberg functional variation method is applied to study electron correlations in atomic systems. The density and pair distributions of electrons are calculated by solving Euler-Lagrange equations for the pair distribution functions. From the calculated pair distributions, we examine the