A goal of Kurt’s is to do a better job of updating the website. Towards that, the group page has been updated. The biggest change is Dr. Zach Palmer has joined us last Fall in a joint postdoc with Dr. Greg Tschumper. Zach got his PhD. with Ryan Fortenberry at Ole Miss and is focusing on applying multicomponent methods to hydrogen-bonded and proton-transfer systems.
New Paper in J. Comp. Chem.
Dylan’s paper on benchmarking VPT2-DFT for computing dipole moments has been published in J. Comp. Chem. Dylan finds that including vibrational corrections using VPT2 only leads to a small increase in accuracy relative to standard DFT. The paper can be found here.