Variational Wavefunctions and Energies for L = 2 and L = 3 States of Two‐Electron Atoms
- 15 March 1971
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 54 (6) , 2657-2659
- https://doi.org/10.1063/1.1675228
Abstract
Variational wavefunctions and energies have been obtained for the , and (through ) levels of the helium isoelectronic sequence through . The trial functions are configuration–interaction expansions in members of a denumerably complete basis set (Sturmian functions), with 39 terms used for the states and 18 terms used for the states. Differences between calculated and observed state energies of He and Li+ range from 0.000001 to 0.00005 a.u.
Keywords
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