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Application of the effective valence shell Hamiltonian method to accurate estimation of oscillator strengths and excitation energies of Mg-like ions

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dc.contributor.author Chaudhuri, R. K
dc.contributor.author Das, B. P
dc.contributor.author Freed, K. F
dc.date.accessioned 2008-08-18T11:13:10Z
dc.date.available 2008-08-18T11:13:10Z
dc.date.issued 1998-02
dc.identifier.citation Journal of Chemical Physics, Vol. 108, No. 6, pp. 2556 - 2562 en
dc.identifier.issn 0021-9606
dc.identifier.uri http://hdl.handle.net/2248/3187
dc.description.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. en
dc.format.extent 3894 bytes
dc.format.mimetype application/pdf
dc.language.iso en en
dc.publisher American Institute of Physics en
dc.relation.uri http://link.aip.org/link/?JCPSA6/108/2556/1 en
dc.subject Magnesium en
dc.subject Isoelectronic Series en
dc.subject Oscillator Strengths en
dc.subject Ionisation Potential en
dc.subject Ab initio calculations en
dc.subject Convergence Of Numerical Methods en
dc.title Application of the effective valence shell Hamiltonian method to accurate estimation of oscillator strengths and excitation energies of Mg-like ions en
dc.type Article en


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