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The variation of the energy functional with respect to the density matrix of first order

✍ Scribed by G. Baumann, R. Duscher


Book ID
120768750
Publisher
Springer
Year
1987
Tongue
English
Weight
611 KB
Volume
69
Category
Article
ISSN
1434-6036

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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