69 citations · 146 across the 7 of their papers we have counts for
3 papers · 1 filter
Quantum Monte Carlo study of MnO solid
Ji-Woo Lee, Lubos Mitas, Lucas K. Wagner
Electronic structure of the manganese oxide solid is studied by the quantum Monte Carlo (QMC) methods. The trial wavefunctions are built using orbitals from unrestricted Hartree-Fo…
Approximate and exact nodes of fermionic wavefunctions: coordinate transformations and topologies
Michal Bajdich, Lubos Mitas, Gabriel Drobný +1
A study of fermion nodes for spin-polarized states of a few-electron ions and molecules with one-particle orbitals is presented. We find exact nodes for some cases of two e…
The Structure and Stokes Shift of Hydrogenated Silicon Nanoclusters
Lucas Wagner, Aaron Puzder, Andrew Williamson +5
We evaluate the optical gap and Stokes shift of several candidate 1 nm silicon nanocrystal structures using density functional and quantum Monte Carlo (QMC) methods. We find that t…