Abstract
Using Guseinov's translation formula for a complex Slater-type orbital (STO) and Steinborn's overlap integral between two Slaters on different centers, an analytic approach to electron-molecule interaction potentials has been developed. The theory presented is restricted to diatomic molecules although it is easily generalized to multiatom systems. A general computer code based on this formalism has been written and ē-H2 interaction potentials have been produced for the X1Σ+g state of H2 using two target representations: (1) McLean's five-state (open-shell form) configuration interaction function and (2) Fraga and Ransil's single-configuration (closed-shell form) function. The results are compared with a numerical procedure due to Faisal.
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.
