𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A TD-DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene

✍ Scribed by Cristina Aparecida Barboza; Pedro Antonio Muniz Vazquez; Desmond Mac-Leod Carey; Ramiro Arratia-Perez

Book ID
112185809
Publisher
John Wiley and Sons
Year
2012
Tongue
English
Weight
894 KB
Volume
112
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Performance of time-dependent density fu
Performance of time-dependent density functional and Green functions methods for calculations of excitation energies in radicals and for Rydberg electronic states
✍ A. S. Zyubin; A. M. Mebel πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 104 KB

## Abstract Time‐dependent density functional (TD‐DFT) and perturbation theory‐based outer valence Green functions (OVGF) methods have been tested for calculations of excitation energies for a set of radicals, molecules, and model clusters simulating points defects in silica. The results show that