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Lucas K. Wagner Quantum Monte Carlo for Ab Initio calculations of energy-relevant materials International Journal of Quantum Chemistry 114

Article first published online: 5 AUG 2013 | DOI: 10.1002/qua.24526

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Calculating the properties of electrons using random samples can lead to much higher accuracy solutions of the Schröedinger equation. This class of methods, called quantum Monte Carlo methods, has begun to make a significant impact on predictive calculations for energy-relevant materials. This perspective summarizes the methods and some of their impacts.

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