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Comparison of conjugate gradient density matrix search and Chebyshev expansion methods for avoiding diagonalization in large-scale electronic structure calculations
Bates, Kevin R., Daniels, Andrew D., Scuseria, Gustavo E.Volume:
109
Year:
1998
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.476927
File:
PDF, 312 KB
english, 1998