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The Restricted Active Space Followed by Second-order Perturbation Theory Method: Theory and Application to the Study of CuO2 and Cu2O2 systems

Electronic Structure - Methods

Publication Details

  • Authors: P.A. Malmqvist, K. Pierloot, A. Rehaman Moughal Shahi, C.J. Cramer, and L. Gagliardi
  • Publication Number: 88
  • Year: 2008
  • Journal: J. Chem. Phys.
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Full Citation

P.A. Malmqvist, K. Pierloot, A. Rehaman Moughal Shahi, C.J. Cramer, and L. Gagliardi, The Restricted Active Space Followed by Second-order Perturbation Theory Method: Theory and Application to the Study of CuO2 and Cu2O2 systems, J. Chem. Phys., 2008, 128, 204109. DOI: 10.1063/1.2920188