Predicting Near Edge X-ray Absorption Spectra with the...

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

Verma, Prakash, Derricotte, Wallace D., Evangelista, Francesco A.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00817
Date:
December, 2015
File:
PDF, 1.23 MB
english, 2015
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