Theoretical calculation of energy levels and spectra ab initio are described for transitions of the type pm–pm−1l, especially 3pm–3pm−13d transitions in the Ar i and Cl i isoelectronic sequences. Strong changes of wavefunction composition occur in going from neutral atoms to ions as a result of collapse of the 3d wavefunction; for m = 2 and 6 these take the form of coupling changes, and for m = 3–5 they take the form of changes of parentage composition. Abnormally low Ti v 3p6–3p54d intensities are explained as an interference effect in evaluation of the dipole radial integral.
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Computed absolute energies for the ground configuration are −577.680 − 1.258 − 1.022 = −579.960 Ry for Si i and −6662.204 − 100.664 − 2.893 = −6765.761 Ry for Y iii.
L. J. Radziemski, Jr., and K. L. Andrew, J. Opt. Soc. Am. 55, 474 (1965); C. E. Moore, Natl. Bur. Std. (U. S.) Circ. No. 467, 2 (1952).
Ionization energies are from the c-of-g of the ground configuration listed, to the c-of-g of the ground configuration of the next higher ionization stage.
C. E. Moore, Natl. Bur. Std. (U. S.) Circ. No. 467, 3 vols. (1949–1958). Values listed as approximate are uncertain either because one or more levels of the ground configuration are uncertain or because the first ionization limit has only been estimated from isoelectronic data. Ti v and Ti vi are from Ref. 17.
Table III
Comparison of theoretical and empirical parameter values (in kK) for the configuration 3p53d.
Computed wavelengths (Å), oscillator strengths, and transition probabilities (sec−1) of the resonance lines 3p6 1S0–3p53d in the Ar i isoelectronic sequence.
References 5, 9, 11, and 17.
The J = 1 states of Ar i 3p53d can be labeled somewhat more appropriately in LS notation than in the jK notation used in Table IV.
Tables (5)
Table I
Theoretical (HX) excitation and ionization energies (in kK), relative to the center of gravity of the ground configuration.a
Computed absolute energies for the ground configuration are −577.680 − 1.258 − 1.022 = −579.960 Ry for Si i and −6662.204 − 100.664 − 2.893 = −6765.761 Ry for Y iii.
L. J. Radziemski, Jr., and K. L. Andrew, J. Opt. Soc. Am. 55, 474 (1965); C. E. Moore, Natl. Bur. Std. (U. S.) Circ. No. 467, 2 (1952).
Ionization energies are from the c-of-g of the ground configuration listed, to the c-of-g of the ground configuration of the next higher ionization stage.
C. E. Moore, Natl. Bur. Std. (U. S.) Circ. No. 467, 3 vols. (1949–1958). Values listed as approximate are uncertain either because one or more levels of the ground configuration are uncertain or because the first ionization limit has only been estimated from isoelectronic data. Ti v and Ti vi are from Ref. 17.
Table III
Comparison of theoretical and empirical parameter values (in kK) for the configuration 3p53d.
Computed wavelengths (Å), oscillator strengths, and transition probabilities (sec−1) of the resonance lines 3p6 1S0–3p53d in the Ar i isoelectronic sequence.
References 5, 9, 11, and 17.
The J = 1 states of Ar i 3p53d can be labeled somewhat more appropriately in LS notation than in the jK notation used in Table IV.
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