Our paper on deriving the one-electron Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in tetrahedral and octahedral symmetries has been accepted for publication on J. Chem. Phys. Here is the link of the paper. Congratulations to Ekadashi, who is the first author of the paper.
News
One-electron spin-orbit Jahn-Teller and pseudo-Jahn-Teller Hamiltonian formalism.
James' paper, titled "Unified one-electron Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in axial symmetries", has been accepted for publication on J. Chem. Phys. Since spin-orbit interaction is mostly a one-electron operator, with the two-electron spin-orbit interaction being incorporated in the effective core-valence shielding, the derived formalism essentially covers all spin-orbit vibronic problems for […]
A unified formalism of Jahn-Teller and pseudo-Jahn-Teller Hamiltonians.
James' paper has just been accepted by J. Chem. Theory Comput. We derived a unified formalism of Jahn-Teller, pseudo-Jahn-Teller, and Renner-Teller Hamiltonians for all axial symmetries. The formalism has been incorporated in the a Python program, VHEGEN2.0. Henceforth, all expansion formulas of vibronic Hamiltonian operators for axial symmetries, from C1 to D∞h, can be generated […]
Welcome, James!
Dr. James Brown joined our group as a postdoctoral researcher in January 2021. Welcome, James!
Welcome, Dylan!
Dylan joined our group as a MSc student in the fall term of 2020. Welcome, Dylan!
Congratulations to Kun
Kun successfully defended his MSc thesis on August 24th. Congratulations to Kun!
Top 10% most downloaded paper
We just got notified that our review article on theoretical studies of singlet fission is among the top 10% most downloaded papers of ChemPlusChem.
Appointment to the Graduate Program in Physics
Toby's full member appointment to the Graduate Program in Physics & Astronomy has been confirmed.
Welcome, Ekadashi!
Dr. Ekadashi Pradhan joined our group as a postdoctoral researcher. Ekadashi did his PhD at University of Alberta and his postdoctoral research at SUNY Buffalo and IIT Bombay. Here is his Google Scholar page. Welcome, Ekadashi!
The VHEGEN program is published
The paper of the VHEGEN program has just been accepted by Computer Physics Communications. VHEGEN stands for Vibronic Hamiltonian Expansion GENerator. It is a python code that allows you to key in a Jahn-Teller or a pseudo-Jahn-Teller problem and then returns the expansion formulas of the vibronic Hamiltonian matrix elements. It covers all bimodal problems in […]
