Calculations on πunp Rydberg Terms of the Nitrogen Molecule
- 15 August 1966
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 45 (4), 1245-1250
- https://doi.org/10.1063/1.1727743
Abstract
A more thorough calculation is made of the lowest terms in the Worley—Jenkins Rydberg series in molecular nitrogen. A complete variation of the energy is made with respect to the screening parameters in the Rydberg functions for n=3, 4 and limited variation with parameters for functions with n=5, 6, 7. In every case investigated, a stable minimum in the term energy was found. Terms with n=5, 6, 7 agree with experimental terms to about 10%, and differences appear to decrease slightly with increasing n. Some variation was made in parameters of the core function and the effect of this limited variation on the Rydberg terms is discussed. A brief discussion is made of results on computed Rydberg defects.Keywords
This publication has 12 references indexed in Scilit:
- Calculation of Rydberg Levels in the Nitrogen MoleculeThe Journal of Chemical Physics, 1965
- One-Center Perturbation Approach to Molecular Electronic Energies. II. Exact Wavefunctions and Energies for H2+-Like Molecular PuffsThe Journal of Chemical Physics, 1965
- Theory of Rydberg Terms of the Nitrogen MoleculeThe Journal of Chemical Physics, 1965
- Calculation on some excited states of helium and lithiumMolecular Physics, 1965
- Theory of Rydberg Series in Polyatomic Molecules: H2OThe Journal of Chemical Physics, 1964
- The Rydberg States of Molecules.1a Parts I-V1bJournal of the American Chemical Society, 1964
- One-Center Perturbation Approach to Molecular Electronic Energies. I. Exposition of the MethodThe Journal of Chemical Physics, 1963
- Rydberg levels in CH2and CH3Molecular Physics, 1963
- An SCF LCAO MO Study of N2The Journal of Chemical Physics, 1955
- Absorption Spectrum ofin the Extreme UltravioletPhysical Review B, 1943