Kinetic Energy Matrix Elements for a two-electron Atom with Extended Hylleraas-CI Wave Function
B Padhy
TL;DR
This paper derives analytical expressions for kinetic energy integrals in two-electron atoms using extended Hylleraas-CI functions, facilitating more accurate quantum calculations.
Contribution
It provides closed-form formulas for kinetic energy integrals in two-electron systems with extended Hylleraas-CI functions, advancing computational methods.
Findings
Analytical expressions for kinetic energy integrals derived.
Closed-form formulas for Hylleraas-CI functions obtained.
Enhances accuracy of variational calculations in two-electron atoms.
Abstract
Some typical kinetic energy integrals which arise in the application of extended Hylleraas-configuration interaction (E-Hy-CI) function in the framework of Rayleigh-Ritz method of variation, have been evaluated analytically for two-electron atomic systems. Closed-form expressions for the corresponding integrals which occur in the application of Hylleraas-CI functions, have also been derived as special cases.
Peer Reviews
No public reviews on file for this paper yet. If you reviewed it on a platform where reviews are public (OpenReview, ICLR, NeurIPS, ICML), you can paste yours below so the community can read it here.
Videos
No videos yet. Explain this paper in a talk, walkthrough, or lecture? Add one.
Taxonomy
TopicsAdvanced Chemical Physics Studies · Spectroscopy and Quantum Chemical Studies · Solid-state spectroscopy and crystallography