𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculations with the dynamical vertex approximation

✍ Scribed by A. Toschi; G. Rohringer; A.A. Katanin; K. Held


Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
415 KB
Volume
523
Category
Article
ISSN
0003-3804

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio molecular dynamics calculation
✍ K. Schwarz; E. Nusterer; P. Margl; P. E. BlΓΆchl πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 251 KB πŸ‘ 1 views

The modern versions of the density functional theory DFT , especially those using the Ε½ . Ε½ . generalized gradient approximation GGA , have reached almost chemical accuracy and thus can be applied to study problems of real chemical interest such as catalysis. The Ε½ . important equations for the DFT,

Ab initio calculations of the rotational
✍ Joseph J. BelBruno πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 377 KB πŸ‘ 2 views

The heights of the rotational barn-ers of the diselenide bridge in dimethyl diselenide have been calculated at the Hartree-Fock level with the 3-21G basis set. The minimum in the rotational potential energy function occurs at a torsional angle of 85.64". The bam'ers were determined by complete geome

ChemInform Abstract: Structure, Energeti
✍ Pavel Hobza; Jiri Sponer πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons βš– 26 KB πŸ‘ 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a β€œFull Text” option. The original article is trackable v