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JCC
2006
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14 years 13 days 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