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most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

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Showing 2016 · physics.chem-phShow all

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physics.chem-ph2016★ 1 cited

A Quantum Monte Carlo Study of mono(benzene)TM and bis(benzene)TM Systems

M. Chandler Bennett, Adem H. Kulahlioglu, Lubos Mitas

We present a study of mono(benzene)TM and bis(benzene)TM systems, where TM={Mo,W}. We calculate the binding energies by quantum Monte Carlo (QMC) approaches and compare the results…