kuitpo

Unfortunately, bisecting covalent bonds is essential. The intention is to calculate energies. I am hearing that present techniques are not appropriate for the intended atom count. I will keep watching...

The absolutely localized Huzinaga level-shift projection operator method promises a scaling and accuracy advance when bisecting covalent bonds https://pubs.acs.org/doi/10.1021/acs.jctc.9b01185 Might there be prospects for Serenity implementing absolute localization? I guess...