The energy and the Dirac density matrix of a non-uniform electron gas
β Scribed by W. Jones; N.H. March; S. Sampanthar
- Publisher
- Elsevier Science
- Year
- 1962
- Weight
- 241 KB
- Volume
- 1
- Category
- Article
- ISSN
- 0031-9163
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π SIMILAR VOLUMES
An approximation for the correIation energy of the electron gas is derived (employing a direct modelling of the Coulomb hole) for the pair distribution function: ec(rs) = -0.303&, + 1\_108) rydberg. It is of the same form as the expressions of Wigner and of McWeeny.
In this nofe we conader the mue of rtn ckctron's seIf~oulomb interaction (or self~ne~y) in a homo&eneous free electron gas We observe thnt, provided the gas is ehqe neurral and udimte in extent. tbc proper &f-energy contnbution yields a lowenng of Ihe total energy and does not modify the shape of th
## Abstract For the HirshfeldβI atom in the molecule (AIM) model, associated singleβatom energies and interaction energies at the HartreeβFock level are efficiently determined in oneβelectron Hilbert space. In contrast to most other approaches, the energy terms are fully consistent with the partiti