Robert J. Cave Research Presentations

Research Presentations (while at Harvey Mudd College, not including student presentations).

“Ab Initio Studies of Polyene Electronic Spectra,” University of California Riverside, February 1990; talk.

“Application of QuasidegenerateVariational Perturbation Theory to the Calculation of Electronic Excitation Energies,” Twelfth Annual West Coast Theoretical Chemistry Conference, 1990; poster.

“A Theoretical Investigation of the Low-Lying States of Butadiene Radical Cation,” American Conference on Theoretical Chemistry, 1990; talk.

“Ab Initio Studies of the Ground and Excited States of Molecules,” California Polytechnic University at Pomona, May 1991; talk.

“A Theoretical Investigation of the Low-Lying States of Butadiene Radical Cation,” VIIth International Conference on Quantum Chemistry,” Menton, France, July 1991, poster.

“A Theoretical Investigation of the Low-Lying States of Butadiene Radical Cation,” National ACS Meeting, New York, August 1991, poster.

“Application of Approximately Size-Consistent Methods to the Study of Molecular Excited States,” National ACS Meeting, San Francisco, April 1992, invited talk.

“A Theoretical Investigation of Several Low-Lying States of CH₂NH and CH₂NH⁺,” West Coast Conference on Theoretical Chemistry, June 1993; poster.

“A Theoretical Investigation of Several Low-Lying States of CH₂NH and CH₂NH⁺,” American Conference on Theoretical Chemistry, June 1993; poster.

“Methods for the Calculation of the Electronic Coupling Element in Electron Transfer Reactions,” Dept. Of Chemistry, Brookhaven National Laboratory, February 1995; talk.

“Methods for the Calculation of the Electronic Coupling Element in Electron Transfer Reactions,” Dept. Of Chemistry, Columbia University, April 1995; talk.

“Methods for the Calculation of the Electronic Coupling Element in Electron Transfer Reactions,” Dept. Of Energy Solar Photochemistry Conference, June 1995; poster.

“Theoretical Studies of Electron Transfer Processes: Ab Initio Studies of Solvent Effects on the Electronic Coupling Element,” American Conference on Theoretical Chemistry, June 1996; poster.

“Theoretical Studies of Electron Transfer Processes: Ab Initio Studies of Solvent Effects on the Electronic Coupling Element,” Electron Donor-Acceptor Interactions Gordon Conference, August 1996; invited talk.

“Theoretical Studies of Electron Transfer Processes: Ab Initio Studies of Solvent Effects on the Electronic Coupling Element,” National ACS Meeting, San Francisco, April 1997; talk.

“Solvent Effects on the Electronic Coupling Element in Electron transfer Reactions,” Oesper Symposium, University of Cincinnati, October 1997; talk.

Theoretical Studies of Solvent Effects on Electron Transfer Reactions, Colorado State University, March 1998; talk.

Theoretical Studies of Solvent Effects on Electron Transfer Reactions, ACS Spring Meeting, Dallas, 1998; poster.

“Ultrafast Photo-Induced Electron Transfer from Solvent: Inertial Solvent Dynamics and Electronic Coupling,” ACS Spring Meeting, Dallas, 1998; talk (with E. Castner).

“What is β in Water?” Electron Donor-Acceptor Interactions Gordon Conference, Newport Rhode Island, August 1998; poster.

“Solvent Effects on Electron Transfer Reaction,” University of Florida, Gainesville, November 1998; talk.

“Solvent Effects on Electron Transfer Reaction,” California State University, Long Beach, October 1999; talk

“Methods for Calculating the Electronic Coupling Element for Electron Transfer Reactions,” Nonadiabatic Dynamics Workshop, Telluride, CO, July 30-August 5, 2000; talk.

“Correlation and Multi-State Effects on the Electronic Coupling Element for Electron Transfer Reactions,” Spring ACS Meeting, 2001; poster.

“Solvent Effects on the Electronic Coupling Element for Electron Transfer Reactions,” Rutgers University, Fall, 2001, talk.

Poster on Solvent Effects on Electronic Coupling, Electron Donor-Acceptor Interactions Gordon Conference, Newport Rhode Island, August 2002.

“TDDFT study of the Low-Lying Excited States of Coumarins 102, 152, 153, and 343” (E. W. Castner co-author), ACS Spring Meeting, New Orleans, LA, Spring 2003.

“A Comparison of Through-Space and Through-Bond Coupling for Tunneling in Alkane Chains,” Electron Donor-Acceptor Interactions Gordon Conference, Newport Rhode Island, August 2004; poster.

“Theoretical Studies of the Electronic Coupling Element for Electron Transfer Reactions.” American Conference on Theoretical Chemistry, (July 2005), Talk.

“Ab Initio Calculation of Local Electronic Coupling Elements – Some Bad News,” ACS Physical Chemistry Symposium, “20 Years of Pathways, ACS Spring Meeting, Anaheim, CA, March 2011.

“The Electronic Coupling Element in Electron Transfer Reactions: A Sensitive Probe of Bonding and Dynamics.” Sanibel Meeting, (February 2012), Talk.

“What Makes For Fast Electron Transfer In Biology, And Why Should You Care? One Theorist’s Point Of View.” Elisheva Goldstein Memorial Lecture, Cal Poly Pomona, (May 2013), Talk.

“Block Diagonalization Approach to Diabatic EOM-CC States.” ACS Meeting, Dallas (March 2014), Talk.

“Diabatic States for Spectroscopy and Electron Transfer Processes.” University of California, Irvine, (April 2014), Talk.

“Quasidiabatization Methods for Spectroscopy and Charge Transfer.” “The Batsheva de Rothschild Seminar on Molecular Electronics 2015: 40 years later.” Poster.

“Butadiene – the simplest of polyenes? Not by a long shot.” Pacifichem, December 2015, Invited Talk.

“Quantum Chemical Alchemy: Dynamical Gold from Born-Oppenheimer Lead.” University of California, Davis (April 2016), Talk.

“Doing Theory with Undergraduates and Having a Great Time.” ACS Meeting, San Diego (March 2016), Talk.

“Theory and Application of Computational Chemistry,” The Davidson Correction: Electron Correlation, Science, and Life, Conference Seattle WA (August 2016), Talk.

“Organic Chemistry Catalyzed by Undergraduate Theorists.” ACS Meeting, Washington D.C. (August 2016), Talk.

“Butadiene: Why is such a “simple” molecule a huge pain in the neck?” Pacific Conference on Spectroscopy and Dynamics, San Diego (January 2018), Talk.

“Spectroscopy and Diabatization: Turning the GMH Method Upside Down, or: Butadiene: Why is such a ”simple” molecule a huge pain in the neck?”University of Pittsburgh, Pittsburgh (February 2018), Talk.

“Spectroscopy and Diabatization: Turning the GMH Method Upside Down to Study Butadiene,” Brookhaven National Laboratory, Upton (April 2018), Talk.