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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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cond-mat.mtrl-sci2020★ 19 cited

Many-body electronic structure of LaScO by real space quantum Monte Carlo

Cody A. Melton, Lubos Mitas

We present real space quantum Monte Carlo (QMC) calculations of the scandate LaScO that proved to be challenging for traditional electronic structure approaches due to strong c…