Jonathan Rawlinson

activity

20232026

most citedA phase-space view of vibrational energies without the Born-Oppenheimer framework

2 citations · 3 across the 13 of their papers we have counts for

collaborators

Showing 2025Show all

2 papers · 1 filter

physics.chem-ph2025

Recovering Exact Vibrational Energies Within a Phase Space Electronic Structure Framework

Xinchun Wu, Xuezhi Bian, Jonathan Rawlinson +2

In recent years, there has been a push to go beyond Born-Oppenheimer theory and build electronic states from a phase space perspective, i.e. parameterize electronic states by both…

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…