290 citations · 399 across the 6 of their papers we have counts for
Showing 2018Show all
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cond-mat.str-el2018★ 73 cited
A Mean Field Platform for Excited State Quantum Chemistry
Jacqueline A. R. Shea, Eric Neuscamman
We present a mean field theory for excited states that is broadly analogous to ground state Hartree-Fock theory. Like Hartree-Fock, our approach is deterministic, state-specific, a…
physics.comp-ph2018★ 290 cited
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms,…