The virial, boundary kinetic-energy density and electron density, in one dimension and in spherical symmetry
β Scribed by J.A. Alonso; N.H. March
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 163 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
## Abstract Stalke's dilemma, stating that different chemical interpretations are obtained when one and the same density is interpreted either by means of natural bond orbital (NBO) and subsequent natural resonance theory (NRT) application or by the quantum theory of atoms in molecules (QTAIM), is
A long-term aim in density functional theory is to obtain the kinetic Ε½ . Ε½ . Ε½ . energy density t r in terms of the ground-state electron density r . Here, t r is Ε½ . written explicitly in terms of r for an arbitrary number N N of closed shells in a bare Ε½ . Coulomb field. In the limit as N N Βͺ Ο±,