Applied Math Seminar: Variational Excited State Optimization

Seminar | February 12 | 4-5 p.m. | 939 Evans Hall

 Eric Neuscamann, UC Berkeley

 Department of Mathematics

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.