J. Vincent Ortiz of Auburn University is supported by an award from the Theoretical and Computational Chemistry program for research to develop computational methods for the treatment of gas phase anions. The Office of International Science and Engineering provided partial support of this award. A two-electron propagator method with highly correlated reference state is being developed to describe single and double electron binding energies in double Rydberg anions and in aluminum oxide clusters.
Photoelectron spectra of the nucleotide anions found in DNA and RNA have been recorded and this work is providing the computational method for interpreting these spectra. Other applications of the work to transition metal complexes are being made. In addition to the impact this work is having on other fields of science, the PI is involved in extension collaborations with international scientists, particularly groups in Mexico, Brazil and India. His work is helping to broaden the participation of under-represented groups at both the Auburn site and these international venues.
