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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 |
Auxiliary basis expansions for large-scale electronic structure calculations Jung, Yousung; Sodt, A; Gill, PMW; Head-Gordon, M, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.102, no.19, pp.6692 - 6697, 2005-05 |
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