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

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physics.chem-ph2017

Suppressing ionic terms with number counting Jastrow factors in real space

Brett Van Der Goetz, Eric Neuscamman

We demonstrate that 4-body real space Jastrow factors are, with the right type of Jastrow basis function, capable of performing successful wave function stenciling to remove unwant…