Abstract
By introducing a Gaussian factor to describe the fact that the nuclei in H 2 + vibrate around a fixed point, we have modified the method of hyperspherical harmonics recently proposed by us. The modified method has been applied to solve the three-body Schrodinger equation for H 2 + directly without recourse to the Born-Oppenheimer approximation and the calculations yield well-converged ground-state energies. These are the first-reported results obtained for H 2 + by the method of hyperspherical harmonics. With 25 hyperspherical harmonics and 40 generalized-Laguerre functions, we obtain a ground-state energy of −0.5945 au, which is close to the exact value of −0.5971 au. A detailed presentation of the method of modified hyperspherical harmonics is presented.
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.
