๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Symmetry, Radical Ions, and Butadienes: Exploring the Limits of Density Functional Theory

โœ Scribed by Oxgaard, Jonas; Wiest, Olaf


Book ID
121300809
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
57 KB
Volume
105
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Exploring the limits of gradient correct
โœ Becke, Axel D. ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 146 KB ๐Ÿ‘ 2 views

We have recently proposed a simple and systematic approach to the generation of exchange-correlation functionals in density-functional theory by linear least-squares fitting to accurate thermochemical reference data. In a series of four publications, new functionals with gradient corrections of firs