Variational Excited State Optimization

Eric Neuscamann, UC Berkeley
2/12, 2020 at 4:10PM-5PM in https://berkeley.zoom.us/j/186935273

Predicting the properties of molecules and materials that have absorbed light requires knowledge about excited state wave functions. We will discuss variational strategies and related nonlinear optimization challenges encountered in pursuit of this information, with examples drawn from both quantum chemistry and quantum Monte Carlo.