Quantum Monte Carlo Calculations for Minimum Energy Structures
We present an efficient method to find minimum energy structures using energy estimates from accurate quantum Monte Carlo calculations. This method involves a stochastic process formed from the stochastic energy estimates from Monte Carlo calculations that can be averaged to find precise structural...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Physical Society
2010
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| Online Access: | http://hdl.handle.net/1721.1/58776 https://orcid.org/0000-0003-1281-2359 |