most citedUltrafast Photochemistry and Electron Diffraction for Cyclobutanone in the S2 State: Surface Hopping with Time-Dependent Density Functional Theory

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

collaborators

2 papers

physics.chem-ph2024★ 3 cited

Numerically Stable Resonating Hartree-Fock

Ericka Roy Miller, Shane M. Parker

The simulation of excited states at low computational cost remains an open challenge for electronic structure (ES) methods. While much attention has been given to orthogonal ES met…

physics.chem-ph2024★ 10 cited

Ultrafast Photochemistry and Electron Diffraction for Cyclobutanone in the S2 State: Surface Hopping with Time-Dependent Density Functional Theory

Ericka Roy Miller, Sean J. Hoehn, Abhijith Kumar +2

We simulate the photodynamics of gas-phase cyclobutanone excited to the S state using fewest switches surface hopping (FSSH) dynamics powered by time-dependent density function…