699 citations · 700 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2020★ 699 cited
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
cond-mat.mtrl-sci2013★ 1 cited
Validation of the effective masses calculated using finite difference method on a five-point stencil for inorganic and organic semiconductors
Alexandr Fonari, Christopher Sutton
We present a code to calculate effective masses from energy dispersion relation using finite difference method on a five-point stencil. We validate our code against inorganic (GaAs…