Property calculations by coupled cluster based linear response theory: dynamic polarizability and van der Waals coefficient
作者： Barnali Kundu , Debashis Mukherjee
DOI: 10.1016/0009-2614(91)87088-S
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摘要: Abstract We propose and implement in this paper a highly correlated method for computing dynamic polarizability of closed-shell atoms molecules the van der Waals coefficient C 6 within framework coupled cluster based linear response theory (CC-LRT). Excitation energies (EE), oscillator strengths dipole have been computed He, Be CH + . The has calculated He Be. Comparison with existing data high quality CI results is found to be quite encouraging, indicating promise method.
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