Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
17 (1980), S. 609-618
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A previously given iterative procedure to improve wave functions is analyzed. Its relationship with other well-known approximation methods is investigated. Hypervirial operators depending on a real parameter are proposed and their connection with the employment of an infinite number of hypervirial relations is analyzed. A way to use formulas that are valid for exact eigenfunctions in the case of approximate functions is presented. Formal results are applied to the harmonic oscillator and hydrogen atom models in order to show their practical utilization.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560170403
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