Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium

264. Z. Tao, Y. Yang, and S. Hammes-Schiffer, “Multicomponent density functional theory: Including the density gradient in the electron-proton correlation functional for hydrogen and deuterium,” J. Chem. Phys. 151, 124102 (2019).

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