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• W2316713096 endingPage "6541" @default.
• W2316713096 startingPage "6536" @default.
• W2316713096 abstract "The method of analytical continuation in the coupling constant, which allows us to determine the energy and width of a shape resonance, has been applied to the study of the 2B2g shape resonance of ethylene. The procedure was done in two steps. In the first step, we used commercially available quantum-chemistry programs to calculate the electronic energy of a neutral molecule and of a negative ion. In both calculations, the Hamiltonian was altered by the inclusion of an additional attractive potential that helps to keep the negative ion bound. In the second step, the energy difference between the neutral molecule and its negative ion was analytically continued by the use of the statistical Padé approximation." @default.
• W2316713096 created "2016-06-24" @default.
• W2316713096 creator A5055823811 @default.
• W2316713096 creator A5065670738 @default.
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• W2316713096 date "2014-07-15" @default.
• W2316713096 modified "2023-10-13" @default.
• W2316713096 title "Determination of the Resonance Energy and Width of the ²B_2g Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant" @default.
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• W2316713096 doi "https://doi.org/10.1021/jp503075a" @default.
• W2316713096 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24955648" @default.
• W2316713096 hasPublicationYear "2014" @default.
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