𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Radial integrals in the Coulomb-Born approximation

✍ Scribed by Kunio Takagishi; Mitsushi Ohkura; Shinobu Nakazaki


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
535 KB
Volume
85
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


An approximation of the two-center coulo
✍ N. Tyutyulkov; A. Gochev; F. Fratev πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 151 KB

It is shown that the singlet and triplet transition energies of hydrocarbons may be calculated by means of the generalised Mataga-Nishimoto approximation for the two-center Coulomb integrals.

On the use of a model function of Coulom
✍ M.J. Filatov; I.L. Zilberberg; G.M. Zhidomirov πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 273 KB

In order to evaluate the Coulomb and exchange integrals in the semiempirical SCF MO methods over an spd-basis of orbitals, an approximation of the model function of the Coulomb hole is used. The procedure of calculating mono-and bicentric Coulomb integrals based on the properties of Fourier transfor

Effective Born radii in the generalized
✍ Alexey Onufriev; David A. Case; Donald Bashford πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 203 KB

## Abstract Generalized Born (GB) models provide, for many applications, an accurate and computationally facile estimate of the electrostatic contribution to aqueous solvation. The GB models involve two main types of approximations relative to the Poisson equation (PE) theory on which they are base