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physics.chem-ph2025★ 1 cited
Non-Resonant Raman Optical Activity From Phase-Space Electronic Structure Theory
Zhen Tao, Mansi Bhati, Joseph E. Subotnik
In order to model experimental non-resonant Raman optical activity, chemists must compute a host of second-order response tensors, (e.g. the electric-dipole magnetic-dipole polariz…
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…