𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A method of implementing Hartree–Fock calculations with zero- and finite-range interactions

✍ Scribed by H. Nakada; M. Sato

Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
265 KB
Volume
699
Category
Article
ISSN
0375-9474

No coin nor oath required. For personal study only.

✦ Synopsis

We develop a new method of implementing the Hartree-Fock calculations. A class of Gaussian bases is assumed, which includes the Kamimura-Gauss basis-set as well as the set equivalent to the harmonic-oscillator basis-set. By using the Fourier transformation to calculate the interaction matrix elements, we can treat various interactions in a unified manner, including finite-range ones. The present method is numerically applied to the spherically-symmetric Hartree-Fock calculations for the oxygen isotopes with the Skyrme and the Gogny interactions, by adopting the harmonic-oscillator, the Kamimura-Gauss and a hybrid basis-sets. The characters of the basis-sets are discussed. Adaptable to slowly decreasing density distribution, the Kamimura-Gauss set is suitable to describe unstable nuclei. A hybrid basis-set of the harmonic-oscillator and the Kamimura-Gauss ones is useful to accelerate the convergence, both for stable and unstable nuclei.

📜 SIMILAR VOLUMES

Implementation of divide-and-conquer met
Implementation of divide-and-conquer method including Hartree-Fock exchange interaction
✍ Tomoko Akama; Masato Kobayashi; Hiromi Nakai 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 480 KB

## Abstract The divide‐and‐conquer (DC) method, which is one of the linear‐scaling methods avoiding explicit diagonalization of the Fock matrix, has been applied mainly to pure density functional theory (DFT) or semiempirical molecular orbital calculations so far. The present study applies the DC m