Idempotent density matrix derived from a local potential V(r) in terms of HOMO and LUMO properties
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference8 articles.
1. Generalized Christoffel?Darboux formulae and the frontier Kohn?Sham molecular orbitals
2. Approximate solutions of the density matrix equation for a local average field
3. Exact relation between density-matrix and density-functional theory forKplusLclosed shells in a bare Coulomb field
4. Selection Rules for Sigmatropic Reactions
5. A Free‐Electron Model for Discussing Reactivity in Unsaturated Hydrocarbons
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