Rydberg states of the helium atom
Using the recently introduced maximum overlap method and Hartree-Fock Perturbation Theory (HFPT), we compute Hartree-Fock (HF) wavefunctions for triplet 1s ns states of the helium atom. Comparison with near-exact results from Nakatsuji's free ICI method reveals that HF theory provides a simple route to accurate energies of these Rydberg states, especially for large n.
|Collections||ANU Research Publications|
|Source:||International Journal of Quantum Chemistry|
|01_Deng_Rydberg_states_of_the_helium_2009.pdf||89.29 kB||Adobe PDF||Request a copy|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.