AURORA-SCF uses a transferred valence-STO-3G curvature model corrected by target-level L-BFGS secants to cut SCF wall time by about 26 to 34 percent versus DIIS in matched benchmark pairs.
Alan Edelman, Tom´ as A
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Beyond the Four-Decade DIIS Default:Auxiliary-Curvature Acceleration of Self-Consistent-Field Calculations
AURORA-SCF uses a transferred valence-STO-3G curvature model corrected by target-level L-BFGS secants to cut SCF wall time by about 26 to 34 percent versus DIIS in matched benchmark pairs.