Abstract
The second-order energy expression from Hirschfelder–Silbey perturbation theory is rewritten in a form which facilitates a comparison with the conventional Rayleigh–Schrödinger theory. It is shown that the approximate procedure used by McQuarrie and Hirschfelder to evaluate the second-order energy for the 1sσg and 2pσu states of H2+ is equivalent to approximating the first-order Rayleigh–Schrödinger function by a symmetry-projected combination of unsymmetric polarization functions. The addition of a correction term to the values calculated by McQuarrie and Hirschfelder leads to substantial improvement of their results.
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.
