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A perspective on the density matrix purification for linear scaling electronic structure calculations Kim, Jaehoon; Jung, Yousung, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.563 - 568, 2016-04 |
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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