Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling
Prif Awduron: | Craig, MS, Warren, M, Dove, M, Gale, J, Sanchez-Portal, D, Ordejon, P, Soler, J, Artacho, E |
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Fformat: | Journal article |
Cyhoeddwyd: |
2004
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Eitemau Tebyg
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eScience for molecular-scale simulations and the eMinerals project.
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