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：Froeyen, Paul Phosphorus, Sulfur and Silicon and the Related Elements, 1991 , vol. 63, # 3/4 p. 283 - 293
... There exists no one finite basis set for each element that is small enough to be used in molecular calculations with today's computers ... This technique yielded very good molecu- lar results for main group elements and succeeded with third row elements where the STO-3G ... VOL. ...
