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Diabatization Based on the Dipole and Quadrupole: The DQ Method

Electronic Structure - Methods

Publication Details

  • Authors: C. E. Hoyer, X. Xu, D. Ma, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 189
  • Year: 2014
  • Journal: J. Chem. Phys.
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Full Citation

C. E. Hoyer, X. Xu, D. Ma, L. Gagliardi, and D. G. Truhlar, Diabatization Based on the Dipole and Quadrupole: The DQ Method, J. Chem. Phys., 2014, 141, 144104. DOI: 10.1063/1.4894472