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ABINITIO BENDING POTENTIAL-ENERGY CURVES FOR RYDBERG STATES OF H2O
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UNSPECIFIED (1992) ABINITIO BENDING POTENTIAL-ENERGY CURVES FOR RYDBERG STATES OF H2O. MOLECULAR PHYSICS, 77 (3). pp. 463-476. ISSN 0026-8976.
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Abstract
Using a basis set containing Rydberg s, p and d functions, ab initio configuration interaction calculations have been made for the bending potential-energy curves of Rydberg states of H2O having excitation energies up to about 12 eV. The calculations reveal a large number of avoided crossings between `bent' Rydberg states arising from the excitation of an electron from the 1b1 orbital and `linear' states arising from the excitation of an electron from the 3a1 orbital. Quantum defect functions have been derived from the ab initio results and used to generate bending potential-energy curves for higher Rydberg states.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QC Physics | ||||
Journal or Publication Title: | MOLECULAR PHYSICS | ||||
Publisher: | TAYLOR & FRANCIS LTD | ||||
ISSN: | 0026-8976 | ||||
Official Date: | 20 October 1992 | ||||
Dates: |
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Volume: | 77 | ||||
Number: | 3 | ||||
Number of Pages: | 14 | ||||
Page Range: | pp. 463-476 | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
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