Abstract
The interatomic and intra-atomic correlation energies are calculated for a number of molecules composed of first-row atoms. This is done by starting from an ab initio SCF calculation and by treating the correlations with the help of local operators. The main result is the derivation of simple analytic formulae which fit rather well the results of the numerical computations. They depend only on the type of the chemical bond, the bond lengths and the Mullikan populations of the different atoms.
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.
