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Showing 1 to 3 of 3 for “"computational condensed matter"”.
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Optimization Problems in Hilbert Space with POSS Complexes.
… perturbation theory, and other techniques of computational condensed matter physics, we perform a systematic study of metal-polyhydride impurities in <em>T</em><sub>8</sub> and <em>T</em><sub>12</sub> polyhedral oligomeric silsesquioxane (POSS) cage molecules. Second-quantized methods motivate …
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Quantum Monte Carlo study of correlated electronic systems
… electron systems has been a major challenge in computational condensed-matter physics. Quantum Monte Carlo, a powerful computational tool for the study of correlated systems, solves electron correlation problems explicitly. It has been taken as a benchmark method for understanding the correlated …
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Understanding and extending the role of first-principles quantum Monte Carlo
… a powerful tool for accelerating discovery in condensed matter physics. Computation provides a fast, cost-effective supplement to experiment, while simultaneously offering a greater level of flexibility than analytic theory. Indeed, first-principles electronic structure is already in use across …