August 13, 2015
The recently implemented energy-specific formulation of equation-of-motion coupled cluster theory (ES-EOM-CC) allows for the direct calculation of high energy excitations. It is now possible to calculate Rydberg and core excitations within the coupled cluster framework using solutions to CIS as initial guesses. This technique is also applicable to the partitioned equation-of-motion perturbation theory approach (P-EOM-MBPT2), […]
July 23, 2015
Feizhi now has a newly minted Ph.D. He recently defended his dissertation titled “Towards efficient and accurate description of many-electron problems: developments of static and time-dependent electronic structure methods”. He will soon be moving to California to work with Tom Miller at Cal Tech. Congratulations, Feizhi!
June 22, 2015
Shocking no one but himself, Patrick Lestrange has passed his General Exam. Patrick spoke last week about his recent work on modeling high energy and multidimensional spectroscopy with TDDFT. He also teased some preliminary work on how transition properties change when the dipole approximation breaks down (more to come on that later). Congratulations!
June 22, 2015
Two new papers from the group are now online. The first paper is a collaborative work with several other researchers here at UW: Professors David Ginger, Cody Schlenker, and Alex Jen. This was a joint synthetic, spectroscopic, and theoretical project that showed how the excited electronic dynamics of functionalized fullerenes can influence the photovoltaic performance […]
May 19, 2015
Joshua Goings is now officially a Ph.D. Candidate. Last week, Josh gave a stellar talk about his work on Coupled-Cluster Theory, Quantum Dot nanocrystals, and Generalized Hartree-Fock. Congrats!