Abstract
A very simple method for deriving formulas for integrals over Slater—Zener type atomic orbitals is given. Essentially, the method obtains integrals over orbitals having higher n and l quantum numbers from the integral over 1 s orbitals by repeated application of operators involving the orbital exponents and the positions of the orbital centers. The method is made practicable by using a symbolic algebra expert system to derive the formulas. Formulas for overlap integrals (and their derivatives) over 1 s, 2 s, and 2 p atomic orbitals are given directly in Cartesian coordinates, thus avoiding the transformation from a local to a molecular coordinate system.
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.
