𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Hybrid exchange-correlation functional determined from thermochemical data and ab initio potentials

✍ Scribed by Wilson, Philip J.; Bradley, Thomas J.; Tozer, David J.


Book ID
120886798
Publisher
American Institute of Physics
Year
2001
Tongue
English
Weight
378 KB
Volume
115
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Thermochemical data from ab initio calcu
✍ Dieter Cremer πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 986 KB

## Abstract Bond correlation energies Ο΅(XY) have been derived by partitioning second‐order Rayleigh–SchrΓΆdinger–MΓΈller–Plesset (RSMP) correlation energies. Values of Ο΅(XY) depend on the type of bonding between atoms X and Y. They can be considered as comprising correlation energies of bond, lone, a