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).
“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.
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.