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The Journal of Chemical Physics|September 17, 2015
A projection-free method for representing plane-wave DFT results in an atom-centered basisBenjamin D Dunnington, J R SchmidtJournal of Chemical Theory and Computation|November 24, 2015
Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional TheoryBenjamin D Dunnington, J R SchmidtPhysical Chemistry Chemical Physics : PCCP|February 28, 2013
Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systemsTimur R Galeev, Benjamin D Dunnington, J R Schmidt, et al.Pageof 1