Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom

For a wide range of confinement strengths ω, explicitly-correlated calculations afford approximate energies E(ω) of the ground and low-lying excited states of the four-electron harmonium atom that are within few μhartree of the exact values, the errors in the respective energy components being only...

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Veröffentlicht in:The Journal of chemical physics 2014-07, Vol.141 (4), p.044128-044128
Hauptverfasser: Cioslowski, Jerzy, Strasburger, Krzysztof, Matito, Eduard
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Sprache:eng
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