๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A new gradient-corrected exchange-correlation density functional

โœ Scribed by FILATOV, MICHAEL; THIEL, WALTER


Book ID
120567143
Publisher
Taylor and Francis Group
Year
1997
Tongue
English
Weight
266 KB
Volume
91
Category
Article
ISSN
0026-8976

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โœ John P. Perdew; Kieron Burke ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 839 KB

Gradient corrections to the local spin density (LSD) approximation for the exchangecorrelation energy are making density functional theory as useful in quantum chemistry as it is in solid-state physics. But which of the many gradient-corrected density functionals should be preferred a priori? We mak