Zhen Tao

activity

20232026

most citedA Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field I: Conservation of Total Pseudomomentum and Angular Momentum

1 citations · 4 across the 12 of their papers we have counts for

collaborators

Showing 2025Show all

3 papers · 1 filter

physics.chem-ph2025★ 1 cited

The Phase-Space Way To Electronic Structure Theory and Subsequently Chemical Dynamics

Xuezhi Bian, Titouan Duston, Nadine Bradbury +6

Phase-space electronic structure theory offers up a new and powerful approach for tackling problems with coupled nuclear-electronic dynamics in a fashion that goes beyond Born-Oppe…

physics.chem-ph2025

Conical Intersections and Electronic Momentum As Viewed From Phase Space Electronic Structure Theory

Titouan Duston, Nadine Bradbury, Zhen Tao +1

We investigate the structure of a prototypical two-state conical intersection (BeH $_{2}$ ) using a phase space electronic Hamiltonian $\hat{H}_{PS}(\bR,\bP)$ that goes beyond the Born…

physics.chem-ph2025

Symmetry Breaking as Predicted by a Phase Space Hamiltonian with a Spin Coriolis Potential

Nadine C. Bradbury, Titouan Duston, Zhen Tao +3

We perform electronic structure calculations for a set of molecules with degenerate spin-dependent ground states ( $^{3}$ CH $_{2}$ , $^{2}$ CH $_{3}^{∙}$ , $^{3}$ O $_{2}$ ) going beyond the Born…