Benchmark Full Configuration Interaction Calculations for the Ground State of Three- Electron Harmonium Atoms
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منابع مشابه
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 slightly higher. This level of accuracy constitutes an improvement of several orders of magnitude...
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