Shane M Parker

13PUBLICATIONS
90CO-AUTHORS
Computational chemistryTheoretical quantum chemistryStatistical mechanics in chemistrySimulation, modelling, and programming of mechatronics systemsElemental semiconductors
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Publications (13)

|Jul 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

|Mar 12, 2025
Numerically stable resonating Hartree-Fock.

Ericka Roy Miller, Shane M Parker

|Jul 25, 2024
Converging Time-Dependent Density Functional Theory Calculations in Five Iterations with Minimal Auxiliary Preconditioning.

Zehao Zhou, Shane M Parker

|Jul 15, 2024
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

|Jun 29, 2023
TURBOMOLE: Today and Tomorrow.

Yannick J Franzke, Christof Holzer, Josefine H Andersen

|Feb 14, 2023
Minimal Auxiliary Basis Set Approach for the Electronic Excitation Spectra of Organic Molecules.

Zehao Zhou, Fabio Della Sala, Shane M Parker

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Frequent Collaborators

5 joint publications

Filipp Furche

4 joint publications

Zehao Zhou

2 joint publications

Dmitrij Rappoport

2 joint publications

Robert C Spitale