Complete basis set extrapolation of electronic correlation energies using the Riemann zeta function.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00705
Abstract: In this communication we demonstrate the effectiveness of the method of complete basis set (CBS) extrapolation of correlation energies based on the application of the Riemann zeta function. Instead of fitting the results obtained with… read more here.
Keywords: zeta function; basis set; complete basis; extrapolation ... See more keywords