A benchmark quantum Monte Carlo study of
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Kenta Hongo; Ryo Maezono
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Article
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2011
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John Wiley and Sons
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English
⚖ 901 KB
## Abstract We report calculations of the ground state energy and binding curve of the chromium dimer using the variational and diffusion quantum Monte Carlo (VMC and DMC) methods. We examined various single‐determinant and multideterminant wavefunctions multiplied by a Jastrow factor as a trial/gu