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Accelerated Purification Using Generalized Nonpurifying Intermediate Functions for Large-Scale Self-Consistent Field Calculations Kim, J; Jung, Yousung, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.7, no.12, pp.3853 - 3858, 2011-12 |
On the optimal symmetric purification scheme of the one-particle density matrix Kim, J; Jung, Yousung, CHEMICAL PHYSICS LETTERS, v.511, no.1-3, pp.159 - 160, 2011-07 |
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