Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory
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Full Citation
A. Mitra, H. Q. Pham, R. Pandharkar, M. R. Hermes, and L. Gagliardi, Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory, J. Phys. Chem. Lett., 2021, 12, 11688–11694 DOI: 10.1021/acs.jpclett.1c03229