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Lower Bounds for the Energy Levels of Anharmonic Oscillators

Authors :
Reid, Charles E
Source :
Journal of Chemical Physics. 43
Publication Year :
1965
Publisher :
United States: NASA Center for Aerospace Information (CASI), 1965.

Abstract

The lower‐bounds method presented by Löwdin in the preceding paper has been applied to oscillators perturbed by third‐ and fourth‐power terms in the potential‐energy expression. For favorable cases agreement between upper and lower bounds is easily carried to many more figures than are likely to be physically significant. In many cases the lower bounds agreed more closely to the true eigenvalue than did the corresponding upper bounds. For a given basis set, this method gives closer bounds than that of Bazley and Fox, except for energy levels too high to be satisfactorily treated in the given basis. The only disadvantage found was that for close bounds double precision proved necessary, indicating more than ordinary loss of computational accuracy.

Subjects

Subjects :
Atomic And Molecular Physics

Details

Language :
English
ISSN :
10897690 and 00219606
Volume :
43
Database :
NASA Technical Reports
Journal :
Journal of Chemical Physics
Notes :
NSG-512
Publication Type :
Report
Accession number :
edsnas.19660036877
Document Type :
Report
Full Text :
https://doi.org/10.1063/1.1701484