Promising insights in parallel grid‐based algorithms for quantum chemical topology
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27105
Abstract: Some straightforward improvements designed to make grid‐based quantum chemical topology more efficient and faster are presented. The strategy focuses on both the evaluation of the scalar function over three‐dimensional discrete grids and the algorithms aimed… read more here.
Keywords: topology; promising insights; chemical topology; based algorithms ... See more keywords