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Complete active-space configuration interaction with optimized orbitals: Application to Li2

Electronic Structure - Methods

Publication Details

  • Authors: S. Evangelisti, G.L. Bendazzoli, and L. Gagliardi
  • Publication Number: 4
  • Year: 1995
  • Journal: Int. J. Quantum Chem.
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Full Citation

S. Evangelisti, G.L. Bendazzoli, and L. Gagliardi, Complete active-space configuration interaction with optimized orbitals: Application to Li2, Int. J. Quantum Chem., 1995, 55, 277–280. DOI: 10.1002/qua.560550309