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Elementary properties of an energy functional of the first-order reduced density matrix

✍ Scribed by Donnelly, Robert A.; Parr, Robert G.

Book ID: 120657226
Publisher: American Institute of Physics
Year: 1978
Tongue: English
Weight: 948 KB
Volume: 69
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.436433

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📜 SIMILAR VOLUMES

Elementary properties of an energy funct

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✍ Donnelly, Robert A.; Parr, Robert G. 📂 Article 📅 1978 🏛 American Institute of Physics 🌐 English ⚖ 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[γ] generates a set of coupled Euler equations for the

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