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Local density exchange approximations versus hartree-fock for ground-state calculations

✍ Scribed by Jerry L. Ivey

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
287 KB
Volume
8
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

New method for approximate Hartree–Fock
New method for approximate Hartree–Fock calculations using density approximations and coulomb field corrections. I
✍ Wolf-Eckart Noack 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 731 KB

## Abstract A method is proposed that reduces the computational effort of HF calculations considerably by reducing the number of two‐electron integrals that have to be calculated. The following concepts are used: (i) approximation of the electron density by only few functions for the Coulomb part o

New method for approximate Hartree-Fock
New method for approximate Hartree-Fock calculations using density approximations and coulomb field corrections. II
✍ Wolf-Eckart Noack 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 741 KB

## Abstract The HF approximation method that was outlined in Paper I is tested with respect to several molecular properties. Three different levels of approximation __a__, __b__, and __c__ are considered. Satisfactory results—compared to corresponding “exact” HF calculations—are obtained with the S

Half-projected and projected Hartree-Foc
Half-projected and projected Hartree-Fock calculations for singlet ground states. II. Lithium hydride
✍ Yves G. Smeyers; G. Delgado-Barrio 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 536 KB

## Abstract The half‐projected Hartree–Fock function (HPHF) for singlet states is defined as a linear combination of two Slater determinants which contains only spin eigenstates with even spin quantum numbers. The possible uses of such an approach for determining molecular properties are investigat