Electron Propagator Theory and Electronic Structure of Nucleotides, Double Rydberg Anions, Metal-Oxide Clusters and Metal-Base Complexes

Kansas State University, Manhattan KS

Investigators

Abstract

J. V. Ortiz of Kansas State University is supported by the Theoretical and Computational Chemistry program to continue his research on the electronic structure of metal oxide clusters, nucleotides and metal complexes, as well as computational studies of electronic binding energies of double Rydberg anions. Theoretical methods based on electron propagator theory are being used, including a generalization of diagonal self-energy approximations to open-shell species. The project involves collaborations with scientists in Mexico, Chile and other Spanish-speaking countries where the PI has engaged in outreach and other activities for recruiting hispanic scientists.