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Journal Club

We are going to prepare these talks similar to a lecture for the group (aka "a chalk talk"). I encourage you all to work as a group, and cover these suggested topic together. This will spread out the workload and allow everyone's areas of expertise to show.

The presenting group is encouraged to work through the details by hand before their session, and come prepared with notes to write at the board. The group will also send out relevant reading material ~1 week before their session to the JCTC group, and will only use the projector to show necessary graphics and figure. Please remember that our group has a diverse background, so start at the basics and work up from there.

I am well aware that each of these topics may take more than 1 and a half meeting, so we will leave this schedule "flexible", and keep in mind things may get pushed back to summer and Fall 2019.

Wednesday 5-6:30 pm in COB1 322 (Willow Room)

Proposed Schedule

Date Group Topic

2/13/2019

Isborn

TDDFT Linear Response Equations

2/27/2019

Isborn/Hratchian

(CI) Energy Contributions for EST / (HH)SCF Convergence methods

3/13/2019

Hratchian

Transition State Optimization

4/3/2019

Shi

Multipole Expansion and Fermi's Golden Rule

4/17/2019

Shi/Strubbe

More time for Shi / Density Functional Perturbation Theory

5/1/2019

Strubbe

Calculating IR and Raman Spectra

5/15/2019

Pribram-Jones

Strictly Correlated Electrons in DFT & Charge Transfer Excitations in Ensemble DFT