Calculation of the discrete component of resonance states in negative ions by variation of nuclear charges

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, , Citation B Nestmann and S D Peyerimhoff 1985 J. Phys. B: Atom. Mol. Phys. 18 615 DOI 10.1088/0022-3700/18/4/009

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1 Lehrstuhl fur Theor. Chem., Bonn Univ., West Germany

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0022-3700/18/4/615

Abstract

A method for obtaining the discrete component of resonance states in negative molecular ions is described. It is based on standard MRD-CI type calculations and especially designed for treating larger molecular systems. The resonance is thereby stabilised by increased nuclear charge. The method is applied to the calculation of N2- in its 2 Pi g( pi u4 pi g) and 2 Pi u( pi u3Ss2) resonance states.

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