๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Accurate calculation of functional determinants

โœ Scribed by P. M. Lavrov; Sh. M. Shvartsman


Book ID
112428953
Publisher
Springer
Year
1988
Tongue
English
Weight
274 KB
Volume
31
Category
Article
ISSN
1573-9228

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Accurate density-functional calculations
โœ Brett I. Dunlap ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 190 KB

Efforts to compute accurate all-electron density-functional energies for large molecules and clusters using Gaussian basis sets are reviewed and their use in fullerene science described. The foundation of this effort, variational fitting, is described first. When discovered experimentally, C was nat

Accurate density functional calculations
โœ Brett I. Dunlap ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 822 KB

The theoretical underpinnings of the linear combination of Gaussian-type orbitals (LCGTO) calculations of the density functional (DF) energy of molecules and clusters are described. The generating function for three-center integrals of arbitrary angular momenta is given in the solid-spherical-harmo