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Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems |
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| Authors: | Hodak Miroslav Lu Wenchang Bernholc J |
| Affiliation: | Center for High Performance Simulation and Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-7518, USA. hodak@chips.ncsu.edu |
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