Rodney J. Bartlett

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Rodney Joseph Bartlett (born March 31, 1944 in Memphis (Tennessee) ) is an American theoretical chemist.

Bartlett graduated from Millsaps College with a bachelor's degree in 1966 and received his PhD in theoretical chemistry from the University of Florida in 1971 with Per-Olov Löwdin . As a post-doctoral student , he was at Aarhus University in 1971/72 (with Jan Linderberg ) and at Johns Hopkins University from 1972 to 1974 . From 1974 he was at the Battelle Institute , from 1977 as group leader chemical physics at the Battelle Columbus Lab in Columbus (Ohio) (before that he was at the Pacific Northwest Lab of Battelle in Richland (Washington) ). From 1981 he was a professor at the University of Florida. From 1989 he was also connected again with Batelle's Pacific Northwest Lab.

In 1987 he was a Guggenheim Fellow at Harvard and Berkeley. He is a Fellow of the American Physical Society and a member of the International Academy of Quantum Molecular Science . In 2000 he received the Florida Section of the American Chemical Society, in 2008 the Schrödinger Medal of the World Association of Theoretical and Computational Chemists (WATOC), in 2007 the American Chemical Society Award in Theoretical Chemistry , in 2010 the Southern Chemist Award and in 2009 the Boys-Rahman Award from the Royal Society of Chemistry. He holds honorary doctorates from Millsaps College and Comenius University in Bratislava.

He is known for developments in many-body methods in quantum chemistry, especially coupled cluster methods (CC, see Theoretical Chemistry ): 1982 with operators for single and double excitation (CCSD), 1987 with triple excitation (CCSDT) and later up to four and five times Suggestion. He also propagated the concept of size scalability in calculations in quantum chemistry, further developed the Feynman diagram technique for electron correlation and coupled CC with many-body perturbation theory (from 1985). The CC method was widely used in ab intio calculations of quantum chemistry and has a dominant role there today.

Fonts (selection)

  • with GD Purvis: Many Body Perturbation-theory, coupled-pair many-electron theory, and importance of quadruple excitations for correlation problem . Int. J. Quantum Chem. Vol. 14, 1978, pp. 516-581
  • with DG Purvis III: A full coupled ‐ cluster singles and doubles model: the inclusion of disconnected triples, Journal of Chemical Physics . Volume 76, 1982, pp. 1910-1918
  • Many-body perturbation theory and coupled cluster theory for electron correlation in molecules . Annual Review of Physical Chemistry, Volume 32, 1981, pp 359-401
  • with M. Urban, J. Noga, SJ Cole: Towards a full CCSDT model for electron correlation . Journal of Chemical Physics, Vol. 83, 1985, pp. 4041-4046
  • with J. Noga: The full CCSDT model for molecular electronic structure . Journal of Chemical Physics, Volume 86, 1987, pp. 7041-7050
  • Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry . Journal of Physical Chemistry, Vol. 93, 1989, pp. 1697-1708
  • with JF Stanton: The equation of motion coupled ‐ cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties . Journal of Chemical Physics, Volume 98, 1993, pp. 7029-7039
  • with JD Watts, J. Gauss: Coupled ‐ cluster methods with noniterative triple excitations for restricted open ‐ shell Hartree – Fock and other general single determinant reference functions. Energies and analytical gradients . Journal of Chemical Physics, Volume 98, 1993, pp. 8718-8733
  • Editor: Recent Advances in Coupled Cluster Methods . World Scientific 1997
  • How and why coupled cluster theory became the preeminent method in ab initio quantum chemistry . In: C. Dykstra: Theory and applications of computational chemistry: the first 50 years . Elsevier, 2005, p. 1191
  • with M. Musial: Coupled-cluster theory in quantum chemistry . Reviews of Modern Physics, Volume 79, 2007, p. 291
  • Editor with Isaiah Shavitt: Many-body methods in chemistry and physics: MBPT and coupled-cluster theory . Cambridge UP 2009

Web links

Individual evidence

  1. ↑ Birth and career dates for American Men and Women of Science , Thomson Gale 2004
  2. ↑ biographical data, publications and Academic pedigree of Rodney J. Bartlett at academictree.org, accessed on January 6, 2018th
  3. ↑ First, in the late 1950s for Vielteilchenrechnungen in nuclear physics from Hermann cumin and Fritz Coester introduced
personal data
SURNAME Bartlett, Rodney J.
ALTERNATIVE NAMES Bartlett, Rodney Joseph (full name)
BRIEF DESCRIPTION American theoretical chemist
DATE OF BIRTH March 31, 1944
PLACE OF BIRTH Memphis (Tennessee)