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Energy calculation of the metastable (1s2s2p)<sup>4</sup>P<sup>o</sup>state of He<sup>-</sup>and Li
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Citations
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References
1967
Year
Numerical AnalysisSpectral TheoryEngineeringNuclear PhysicsPhysicsNatural SciencesCondensed Matter PhysicsKinetic Energy PartHamiltonian OperatorAtomic PhysicsEnergy CalculationComputational ChemistryQuantum ChemistrySolid-state PhysicAb-initio MethodBasis Functions
Owing to a mistake in algebra made by Holøien and Midtdal in 1955 when evaluating the matrix elements of the kinetic energy part of the Hamiltonian operator, the numerical values obtained for the energy and the coefficients of the corresponding eigenvector are in error The error is associated only with correlated basis functions because the correction term vanishes for those which are non-correlated. The corrected values obtained by the re-examination for lithium are more consistent with recent results from electron-impact experiments. New results for the energy and the corresponding eigenvector are given for a 15th-order subset both for He- and Li
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