𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Open-shell restricted Hartree–Fock density matrix direct calculations

✍ Scribed by M. M. Mestechkin


Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
217 KB
Volume
18
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Hartree-fock density matrix equation: Op
✍ C. Frishberg; L. Cohen; P. Blumenau 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB

We present a density matrix formulation of the spin-polarized Hartree-Fock method. The Hartree-Fcck density matrix equation is generalized to treat open-shell systems that can be described by a single determinant. The "eigenmatrix" equation breaks up into two equations, one for the density matrix de