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Variation of the energy functional of the reduced first-order density operator

✍ Scribed by T.Tung Nguyen-Dang; Eduardo V. Ludena; Y. Tal


Book ID
119116454
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
1007 KB
Volume
120
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


Elementary properties of an energy funct
✍ Donnelly, Robert A.; Parr, Robert G. πŸ“‚ Article πŸ“… 1978 πŸ› American Institute of Physics 🌐 English βš– 948 KB

The Hohenberg–Kohn theorem implies the existence of an energy functional based solely on the first-order reduced density matrix of the ground state of an atomic or molecular system. Application of the variational principle for the functional EvM[Ξ³] generates a set of coupled Euler equations for the