๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Density dependent forces and the nature of the 28Si ground state

โœ Scribed by M.R. Manning; A.B. Volkov

Book ID
113333419
Publisher
Elsevier Science
Year
1967
Tongue
English
Weight
198 KB
Volume
26
Category
Article
ISSN
0370-2693

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Analytical excited state forces for the
Analytical excited state forces for the time-dependent density-functional tight-binding method
โœ D. Heringer; T. A. Niehaus; M. Wanko; TH. Frauenheim ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 180 KB

## Abstract An analytical formulation for the geometrical derivatives of excitation energies within the timeโ€dependent densityโ€functional tightโ€binding (TDโ€DFTB) method is presented. The derivation is based on the auxiliary functional approach proposed in [Furche and Ahlrichs, J Chem Phys 2002, 117

Force-balance and differential equation
Force-balance and differential equation for the ground-state electron density in atoms and molecules
โœ C. Amovilli; N. H. March; T. Gรกl; ร. Nagy ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 165 KB ๐Ÿ‘ 2 views

## Holas and March (1995) established a force-balance equation from the many-electron Schrรถdinger equation. Here, we propose this as a basis for the construction of a (usually approximate) differential equation for the ground-state electron density. By way of example we present the simple case of