Rodney J. Bartlett


Born March 31, 1944 in Memphis, Tennessee, USA.

Graduate Research Professor of Chemistry and Physics, University of Florida, USA.
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Guggenheim Fellow, (1986–1987); Fellow, American Physical Society; Chairman, Subdivision of Theoretical Chemistry, American Chemical Society, (1985); National Science Foundation Postdoctoral Fellow, Aarhus University, Denmark, (1971–1972).

Author of:

“Many-body perturbation theory and coupled cluster theory for electron correlation in molecules”, Annual Reviews of Physical Chemistry, Vol. 32, p. 359 (1981); “Coupled-cluster approach to molecular structure and spectra: A step forward toward predictive quantum chemistry”, Feature Article, J. Phys. Chem. 93, 1697 (1989); and 235 other papers.

Important Contributions:

  • Instrumental in the development of “many-body” methods in quantum chemistry. Emphasized the concept of “extensivity”, i.e. correct scaling with size, which provides the rationale for many-body methods. Made initial basis set implementation of many-body perturbation theory (MBPT) to molecules (1974). Presented first general purpose ab initio applications of coupled-cluster theory (CCD) for open (UHF) and closed-shells (1978). Introduced CCSD (1981); CC methods with triples (1984); full CCSDT (1987); and CC methods with connected quadruples (1989), and full CCSDTQ (1992).
  • Introduced ROHF-CC (1988), and ROHF-MBPT as a special case (1991).
  • Presented the theory of the “relaxed density” as the density matrix analog for non-variational methods (1984-1989), and employed it in CC/MBPT analytical gradient and property applications. Developed the theory for analytical second derivatives for CCSDT and its approximations (1989), and implemented the theory for RHF-MBPT(2) (1986) and UHF and ROHF MBPT(2) open shells (1992). Developments in multi-reference CC theory include the (Fock space) CC theory for ionization and excitation energies (1988); and Hilbert (complete and incomplete active) space CC methods (1990), including the first, many-body method for open-shell singlets (1992).
  • Made the initial correlated studies of static molecular hyperpolarizabilities in 1979, and developed the theory and applications for any-order (analytical derivative) time-dependent Hartree-Fock method for frequency dependent hyper-polarizabilities (1986).
  • Responsible for the ACES II program system.