Abstract
The Temple formula is perhaps the most common method used in the uncommon endeavor of calculating a lower bound to the ground-state energy of an atomic or molecular system. We generalize the Temple formula by introducing a parameter that can be varied to optimize the lower bound. This generalization does not require any information that is not already used for the traditional Temple lower bound. Examples with the helium cation and neutral atom show that improvement is greatest when the approximate wave function poorly approximates the true ground-state wave function. The examples also show that in some cases the traditional Temple lower bound may already be optimal so that our generalization gives no improvement.
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.
