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The Journal of Physical Chemistry Letters|August 24, 2025
Conical Intersections and Electronic Momentum as Viewed from Phase Space Electronic Structure TheoryTitouan Duston, Nadine C Bradbury, Zhen Tao, et al.The Journal of Chemical Physics|April 14, 2025
A basis-free phase space electronic Hamiltonian that recovers beyond Born-Oppenheimer electronic momentum and current densityZhen Tao, Tian Qiu, Xuezhi Bian, et al.The Journal of Chemical Physics|June 24, 2025
Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potentialNadine C Bradbury, Titouan Duston, Zhen Tao, et al.Journal of Chemical Theory and Computation|March 12, 2025
A Phase-Space View of Vibrational Energies without the Born-Oppenheimer FrameworkXuezhi Bian, Cameron Khan, Titouan Duston, et al.The Journal of Chemical Physics|November 26, 2024
An electronic phase-space Hamiltonian approach for electronic current density and vibrational circular dichroismZhen Tao, Titouan Duston, Zheng Pei, et al.The Journal of Chemical Physics|March 25, 2024
Practical phase-space electronic Hamiltonians for ab initio dynamicsZhen Tao, Tian Qiu, Mansi Bhati, et al.Journal of Chemical Theory and Computation|September 3, 2024
A Phase-Space Electronic Hamiltonian For Vibrational Circular DichroismTitouan Duston, Zhen Tao, Xuezhi Bian, et al.Pageof 1