LAUSR

Principal Domains in Local Correlation Theory.

Sign Up to like & get
recommendations!
0 Published in 2019 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.9b00619

Abstract: The computational efficiency of local correlation methods is strongly dependent on the size of the domain of functions used to expand local correlating orbitals such as orbital specific or pair natural orbitals. Here we define… read more here.

Keywords: principal domains; correlation theory; local correlation; pair natural ... See more keywords