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Spin-projected EHF method. II. The equations for successive optimization of the orbitals in the many-electron case

✍ Scribed by I. Mayer; J. Kondász

Publisher
John Wiley and Sons
Year
1975
Tongue
English
Weight
399 KB
Volume
9
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The extended Hartree–Fock equations of the spin‐projected scheme are derived in a form suitable for the construction of a surely convergent method of solution using successive optimization of the individual orbitals. The derivation is based on a specific form of the generalized Brillouin theorem.

📜 SIMILAR VOLUMES

An Efficient Spectral-Projection Method
An Efficient Spectral-Projection Method for the Navier–Stokes Equations in Cylindrical Geometries: II. Three-Dimensional Cases
✍ J.M. Lopez; F. Marques; Jie Shen 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 401 KB

An efficient and accurate numerical scheme is presented for the three-dimensional Navier-Stokes equations in primitive variables in a cylinder. The scheme is based on a spectral-Galerkin approximation for the space variables and a second-order projection scheme for time. The new spectral-projection