Please use this identifier to cite or link to this item:
http://hdl.handle.net/2248/3187
Title: | Application of the effective valence shell Hamiltonian method to accurate estimation of oscillator strengths and excitation energies of Mg-like ions |
Authors: | Chaudhuri, R. K Das, B. P Freed, K. F |
Keywords: | Magnesium Isoelectronic Series Oscillator Strengths Ionisation Potential Ab initio calculations Convergence Of Numerical Methods |
Issue Date: | Feb-1998 |
Publisher: | American Institute of Physics |
Citation: | Journal of Chemical Physics, Vol. 108, No. 6, pp. 2556 - 2562 |
Abstract: | The ab initio effective valence shell Hamiltonian (Hυ) method is used to compute the excitation energies and oscillator strengths for resonance transitions in Mg-like ions, as well as their lowest ionization potentials. The computed excitation energies and oscillator strengths from the Hυ method are in excellent agreement with experiment and with the best values from other high level correlated computations, where available. Several previous discrepancies between theory and experiment are now removed. The present work also investigates the dependence of the calculated Hυ oscillator strengths on the nature and choice of the valence orbitals and provides a comprehensive study of the convergence of Hυ calculations with respect to the enlargement of the valence space. |
URI: | http://hdl.handle.net/2248/3187 |
ISSN: | 0021-9606 |
Appears in Collections: | IIAP Publications |
Files in This Item:
File | Description | Size | Format | |
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Application of the effective valence shell | 121.19 kB | Adobe PDF | View/Open |
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