Most quantum Monte Carlo (QMC) methods for electronic structure encounter a “sign problem” for which the most common solution is to apply the fixed‐node approximation. An extensive body of work by several authors has shown that this approach is very effective, but the fixed‐node error cannot be estimated a priori. An exact Monte Carlo method for Fermions has been recently proposed by Kalos and Pederiva, and extended to molecular systems by Kalos and Hood. As a test, we apply the approach to Be.
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© 2003 American Institute of Physics.
2003
American Institute of Physics
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