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Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality

Prakash Verma1, Wallace D Derricotte1, Francesco A Evangelista1

  • 1Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University , Atlanta, Georgia 30322, United States.

Journal of Chemical Theory and Computation
|November 20, 2015
PubMed

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