Effect on the Energy of Increased Flexibility in the Separable Factor of Hylleraas-Type Atomic Wave Functions fromto O VII
- 15 November 1958
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 112 (4) , 1187-1191
- https://doi.org/10.1103/physrev.112.1187
Abstract
A number of wave functions of the form are applied to the two-electron systems from to Ovii. Various analytic expressions for and are employed. The values of the various parameters in and are chosen to yield the minimum energy. The wave functions, the values of the parameters, and the minimum energies are tabulated. Twenty of the twenty-six functions tabulated are presented here for the first time. For five of the remaining six functions the values of the parameters and the energies have been recomputed. The energies obtained with these wave functions as well as with functions investigated by others are examined to ascertain what improvement in the energy results from considering other functional forms for than the customary negative exponential. In the case of , it is clear that certain types of flexibility in can substantially improve the energies obtained with the simpler functions. For larger nuclear charge the improvement is definite but smaller.
Keywords
This publication has 22 references indexed in Scilit:
- Approximate Wave Functions for the Ground State of HeliumPhysical Review B, 1958
- Ground-State Wave Functions for He i andObtained by the Superposition of Central Field FunctionsPhysical Review B, 1956
- Natural Orbitals in the Quantum Theory of Two-Electron SystemsPhysical Review B, 1956
- Electronic wave functions - The evaluation of the general vector-coupling coefficients by automatic computationPhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1954
- Superposition of ConfigurationsProceedings of the National Academy of Sciences, 1952
- The Negative Ions of Hydrogen and Oxygen in Stellar AtmospheresReviews of Modern Physics, 1944
- The Continuous Absorption Coefficient of the Negative Hydrogen Ion.The Astrophysical Journal, 1944
- The Negative Hydrogen Ion and its Absorption Coefficient.The Astrophysical Journal, 1942
- Berechnung der Elektronenaffinität des WasserstoffsThe European Physical Journal A, 1929
- Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-HeliumThe European Physical Journal A, 1929