𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The fermi-hypernetted-chain method for state-dependent Jastrow-correlated functions

✍ Scribed by S. Fantoni; S. Rosati

Book ID
112837619
Publisher
Springer-Verlag
Year
1978
Weight
964 KB
Volume
43
Category
Article
ISSN
0369-3546

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Analytical excited state forces for the
Analytical excited state forces for the time-dependent density-functional tight-binding method
✍ D. Heringer; T. A. Niehaus; M. Wanko; TH. Frauenheim πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 180 KB

## Abstract An analytical formulation for the geometrical derivatives of excitation energies within the time‐dependent density‐functional tight‐binding (TD‐DFTB) method is presented. The derivation is based on the auxiliary functional approach proposed in [Furche and Ahlrichs, J Chem Phys 2002, 117