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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.
ISSN: 0021-9606
Appears in Collections:IIAP Publications

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