Qi Yu
Nuclear Electronic Orbital (NEO) Method, Proton-Coupled Electron Transfer (PCET)
Ph.D in Chemistry, 2019
Emory University, Atlanta, GA
Nuclear Electronic Orbital (NEO) Method, Proton-Coupled Electron Transfer (PCET)
Ph.D in Chemistry, 2019
Emory University, Atlanta, GA
Nuclear-electronic orbital multistate density functional theory
/in Publications, qi /by Coraline Tao288. Q. Yu and S. Hammes-Schiffer, “Nuclear-electronic orbital multistate density functional theory,” J. Phys. Chem. Lett. 11, 10106-10113 (2020).
Development of nuclear basis sets for multicomponent quantum chemistry methods
/in fabijan, Publications, qi /by Coraline Tao280. Q. Yu, F. Pavošević, and S. Hammes-Schiffer, “Development of nuclear basis sets for multicomponent quantum chemistry methods,” J. Chem. Phys. 152, 244123 (2020).