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On the thermodynamic limit for Hartree–Fock type models

✍ Scribed by I Catto; C Le Bris; P.-L Lions

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
478 KB
Volume
18
Category
Article
ISSN
0294-1449

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📜 SIMILAR VOLUMES

A systematic approach to the Hartree-Foc
A systematic approach to the Hartree-Fock problem in the thermodynamic limit
✍ G Gutierrez; A Plastino 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 1006 KB

A systematic procedure is proposed in order to look for non-plane-wave solutions to the Hartree-Fock equations in the thermodynamic limit. The corresponding Hartree-Fock states are seen to arise as the self-consistent eigenvectors of a special matrix, as in Roothaan's method. The attractive delta pr

The generator coordinate Hartree—Fock me
The generator coordinate Hartree—Fock method for molecular systems. Near Hartree—Fock limit calculations for N2, CO and BF
✍ H.F.M. da Costa; A.M. Simas; V.H. Smith Jr.; M. Trsic 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 260 KB

Generator coordinate Hartree-Fock calculations were performed for the fourteen-electron diatomic molecules Nz, CO and BF. The ground state HF energy and multipole electric moments were calculated. The Grifftn-Wheeler HF equations were solved by discretization with the aid of the HONDO program. The G

On some periodic Hartree-type models for
On some periodic Hartree-type models for crystals
✍ I. Catto; C. Le Bris; P.-L. Lions 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 307 KB

We continue here our study of the thermodynamic limit for various models of Quantum Chemistry. More specifically, we study the Hartree and the restricted Hartree model. For the restricted Hartree model, we prove the existence of the thermodynamic limit for the energy per unit volume. We also define