𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The formulation of a self-consistent constricted variational density functional theory for the description of excited states

✍ Scribed by John Cullen; Mykhaylo Krykunov; Tom Ziegler


Book ID
113533078
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
286 KB
Volume
391
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Application of the dressed time-dependen
✍ Grzegorz Mazur; RadosΕ‚aw WΕ‚odarczyk πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 94 KB

## Abstract Dressed Time‐Dependent Density Functional Theory (Maitra et al., J Chem Phys 2004, 120, 5932) is applied to selected linear polyenes. Limits of validity of the approximation are briefly discussed. The implementation strategy is described. Results for the 2^1^__B__~__u__~ and 2^1^__A__~_