✦ LIBER ✦

The density matrix, density, and Fermi hole in Hartree–Fock theory

✍ Scribed by Dawson, K. A.; March, N. H.

Book ID: 115524662
Publisher: American Institute of Physics
Year: 1984
Tongue: English
Weight: 602 KB
Volume: 81
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.447639

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The density matrix in the unrestricted H

The density matrix in the unrestricted Hartree-Fock method

✍ M. M. Mestechkin 📂 Article 📅 1968 🏛 Springer 🌐 English ⚖ 454 KB

Density matrix approach to the Hartree-F

Density matrix approach to the Hartree-Fock problem

✍ Peltier, S. ;Piastino, A. 📂 Article 📅 1981 🏛 Springer 🌐 English ⚖ 486 KB

Hartree-fock density matrix equation: Op

Hartree-fock density matrix equation: Open-shell systems

✍ 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

Obtaining Hartree–Fock and density funct

Obtaining Hartree–Fock and density functional theory doubly excited states with Car–Parrinello density matrix search

✍ Liang, Wenkel; Isborn, Christine M.; Li, Xiaosong 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 790 KB

Infrared spectra of thiouracils: experim

Infrared spectra of thiouracils: experimental matrix isolation and ab initio Hartree-Fock, post-Hartree-Fock and density functional theory studies

✍ Leszek Lapinski; Hanna Rostkowska; Maciej J. Nowak; Józef S. Kwiatkowski; Jerzy 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 952 KB

Open-shell restricted Hartree–Fock densi

Open-shell restricted Hartree–Fock density matrix direct calculations

✍ M. M. Mestechkin 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 217 KB