A new approach to support functions has been implemented in Conquest, allowing us to use basis functions from multiple sites[1]. The work was performed by Ayako Nakata and Tsuyoshi Miyazaki, and is available on arxiv.

[1] J. Chem. Theor. Comput. 10, 4813 (2014)DOI:10.1021/ct5004934.

This entry was posted on 2014/9/30.