Rodney J. Bartlett
Professor
Research Focus
Rod Bartlett pioneered coupled-cluster (CC) theory and its equation-of-motion extensions, enabling highly accurate molecular structure and spectra predictions. His group created the widely used ACES II and III program systems and applied CC theory to predict and identify novel high-energy molecules such as N5–, N5O+, and N8. He provided the first predictive-quality theoretical values for non-linear optics and NMR couplings, resolving discrepancies between theory and experiment. His team also developed natural linear scaled CC, correlated quantum chemical methods for polymers, the transfer Hamiltonian for materials, and correlated orbital theory (COT), which defines the QTP family of density functionals.
Education and Training
1972–1974: Postdoctoral Research Associate, The Johns Hopkins University (lab of Robert Parr)
1971–1972: NSF Postdoctoral Fellow, Aarhus University (lab of Jan Linderberg)
1966–1971: Ph.D. Quantum Chemistry, University of Florida (lab of P. O. Lowdin)
1962–1966: B.S., Chemistry and Mathematics, Millsaps College
Selected Awards
Humboldt Senior Research Award (2014)
The Boys-Rahman Prize of the Royal Society of Chemistry (RSC) (2009)
The Schrödinger Medal of the World Association of Theoretical and Computational Chemists (WATOC) (2008)
The American Chemical Society (ACS) award in Theoretical Chemistry (2007)
The Florida ACS Award (2000)
Selected Activities
Co-Editor of Advances in Chemistry
Principal organizer of the Sanibel meetings for ~25 years
Editorial Board, Molecular Physics, 1999–present
Board, Molecular Physics, 1992–1998
Editorial Board, Journal of Chemical Physics, 1990–1992
Selected Publications
R, J. Bartlett, Perspective on DFT:” Adventures in DFT by a wavefunction theorist”, J. Chem. Phys., 2019, 151, 160901.
R. J. Bartlett and D. S. Ranasinghe, Frontier Article, Chemical Physics Letters, 2017, 669, 54–70.
R. J. Bartlett and M. Musial, “Coupled-cluster theory in quantum chemistry”, Revs. Modern Phys. 2007, 79, 291–352.