A quantum Monte Carlo study of the molybdenum dimer (Mo2)
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DOI: 10.1016/j.comptc.2019.112642
Abstract: Abstract We have studied the molybdenum dimer ( Mo 2 ) system. The binding energy was calculated by means of the fixed-node DMC (FN-DMC) method. The Slater part of the trial wave function was constructed… read more here.
Keywords: molybdenum dimer; carlo study; monte carlo; quantum monte ... See more keywords