Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation
N Godbout, DR Salahub, J Andzelm…
文献索引：Zerner Monatshefte fuer Chemie, 1913 , vol. 34, p. 1619
... VOL. ... Typically, the calculations were performed with triple-zeta p- and d-type fitting sets, ie, (4,3;4,3). It was found (Dixon in ref. ... 33), and many small organic compounds (34) as a part of the validation of the DGauss code to study various properties such as equilibrium geometries ...
