Sciweavers

JCC
2006
70views more  JCC 2006»
13 years 11 months ago
SG-0: A small standard grid for DFT quadrature on large systems
: We report the development of a new standard quadrature grid for DFT calculations. Standard Grid 0 (SG-0) is designed to be approximately half as large as, and to provide approxim...
Siu-Hung Chien, Peter M. W. Gill