Abstract
Second-order correlation energies for atoms and molecules are calculated with a novel variational functional that is closely related to the one used before but neglects the most time-consuming terms. Consequently much larger basis sets could be used. Results for He, Be, H 2 and LiH obtained with an explicitly correlated gaussian geminal basis are better than the best published results by 0.32, 0.06, 3.3, and 6.2% and are estimated to be accurate to within a fraction of 1%.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
