Abstract
An approximation to the self-energy operator involving a screened electron interaction, developed from work by Hedin, is applied within the Pariser-Parr-Pople model. Modified sets of molecular orbitals and their associated orbital energies are obtained by a self-consistent procedure, and are used to obtain excitation energies corresponding to the so-called particle-hole type excitations. Calculations on the π-systems of several hydrocarbons are presented which show improvements in comparison with previous calculations.
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.
