Showing results (1-10 of 17,238) with videos related to

Sort By:
Pageof 1,724
The Journal of Chemical Physics|September 9, 2018
Stability conditions and local minima in multicomponent Hartree-Fock and density functional theoryYang Yang, Tanner Culpitt, Zhen Tao, et al.
The Journal of Chemical Physics|June 3, 2019
Enhancing the applicability of multicomponent time-dependent density functional theoryTanner Culpitt, Yang Yang, Fabijan Pavošević, et al.
The Journal of Physical Chemistry Letters|March 20, 2018
Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation EnergiesYang Yang, Tanner Culpitt, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation|December 12, 2018
Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital FrameworkFabijan Pavošević, Tanner Culpitt, Sharon Hammes-Schiffer
Chemical Reviews|April 14, 2020
Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear-Electronic Orbital MethodFabijan Pavošević, Tanner Culpitt, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters|July 14, 2020
Frequency and Time Domain Nuclear-Electronic Orbital Equation-of-Motion Coupled Cluster Methods: Combination Bands and Electronic-Protonic Double ExcitationsFabijan Pavošević, Zhen Tao, Tanner Culpitt, et al.
The Journal of Physical Chemistry Letters|February 19, 2019
Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital FrameworkYang Yang, Patrick E Schneider, Tanner Culpitt, et al.
The Journal of Chemical Physics|June 4, 2017
Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedureTanner Culpitt, Kurt R Brorsen, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation|October 17, 2019
Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital FrameworkTanner Culpitt, Yang Yang, Patrick E Schneider, et al.
The Journal of Chemical Physics|September 24, 2017
Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densitiesYang Yang, Kurt R Brorsen, Tanner Culpitt, et al.
Pageof 1,724