Simultaneous optimization of nuclear-electronic orbitals

336. A. Liu, M. Chow, A. Wildman, M. J. Frisch, S. Hammes-Schiffer, and X. Li, “Simultaneous optimization of nuclear-electronic orbitals,” J. Phys. Chem. A 126, 7033-7039 (2022). DOI: 10.1021/acs.jpca.2c05172

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