Revised 7/15/13 curriculum vitae


SIGNIFICANT PUBLICATIONS IN THEORY AND APPLICATION



Download 0.5 Mb.
Page2/10
Date18.10.2016
Size0.5 Mb.
#2181
1   2   3   4   5   6   7   8   9   10

12 SIGNIFICANT PUBLICATIONS IN THEORY AND APPLICATION



Theory

  1. R. J. Bartlett and G. D. Purvis, “Many-body perturbation theory, coupled-pair many-electron theory and the importance of quadruple excitations for the correlation problem,” Proceedings of the American Theoretical Chemistry Conference, Boulder, Colorado, Int. J. Quantum Chem. 14, 561-581 (1978).

  2. R. J. Bartlett and G. D. Purvis III, “Molecular applications of coupled cluster and many-body perturbation methods,” Proceedings of the Nobel Symposium on Many-Body Theory, Lerum, Sweden, Physica Scripta 21, 255-265 (1980).

  3. G. D. Purvis, III and R. J. Bartlett, “A full coupled-cluster singles and doubles model: The inclusion of disconnected triples,” J. Chem. Phys. 76, 1910-1918 (1982).

  4. L. Adamowicz, W. D. Laidig and R. J. Bartlett, “Analytical gradients for the coupled-cluster method,” Int. J. Quantum Chem. Symp. 18, 245-254 (1984).

  5. Y. S. Lee, S. A. Kucharski and R. J. Bartlett, “A coupled cluster approach with triple excitations,” J. Chem. Phys. 81, 5906-5912 (1984).

  6. J. Noga and R. J. Bartlett, “The full CCSDT model for molecular electronic structure,” J. Chem. Phys. 86, 7041-7050 (1987).

  7. R. J. Bartlett, “Coupled-cluster approach to molecular structure and spectra: A step toward predictive quantum chemistry,” J. Phys. Chem. (Feature Article) 93, 1697-1708 (1989).

  8. S. A. Kucharski and R. J. Bartlett, “The coupled-cluster single, double, triple and quadruple excitation method,” J. Chem. Phys. 97, 4282-4288 (1992).

  9. J. F. Stanton and R. J. Bartlett, “The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties,” J. Chem. Phys. 98, 7029-7039 (1993).

  10. N. Flocke and R.J. Bartlett, “A natural linear scaling coupled-cluster method,” J. Chem. Phys. 121, 10935 (2004).

  11. R. J. Bartlett, V. F. Lotrich, I.V. Schweigert, “Ab initio DFT: The best of both worlds?” J. Chem. Phys. 123, 062205 (2005).

12. R. J. Bartlett and M. Musial, “Coupled-cluster theory in quantum chemistry”, Revs. of Modern Phys. 79, 291-352 (2007).

Applications


  1. R.J. Bartlett, I. Shavitt and G.D. Purvis III, "The quartic force field of H2O determined by many-body methods that include quadruple excitation effects,” J. Chem. Phys. 71, 281-291 (1979).

  2. D. H. Magers, R. J. Harrison and R. J. Bartlett, “Isomers and excitation energies of C4,” J. Chem. Phys. 84, 3284-3290 (1986).

  3. J. F. Stanton, W. N. Lipscomb and R. J. Bartlett, “Structure, energetics and vibrational spectra of beryllium borohydride isomers,” J. Chem. Phys. 88, 5726-5734 (1988).

  4. W. J. Lauderdale, J. F. Stanton and R. J. Bartlett, “Stability and energetics of metastable molecules: tetraazatetrahedrane (N4), hexaazabenzene (N6), and octaazacubane (N8),” J. Phys. Chem. 96, 1173-1178 (1992).

  5. J. D. Watts and R. J. Bartlett, “A theoretical study of linear carbon cluster monoanions, Cn- and dianions, (n = 2–10),” J. Chem. Phys. 97, 3445-3457 (1992).

  6. K.F. Ferris and R.J. Bartlett, " Hydrogen pentazole: does it exist?" J. Am. Chem. Soc. (Communication) 114, 8302-8303 (1992).

  7. H. Sekino and R. J. Bartlett, “Molecular hyperpolarizabilities,” J. Chem. Phys. 98, 3022-3037 (1993).

  8. S. A. Perera, R. J. Bartlett and P. von R. Schleyer, “Predicted NMR coupling constants and spectra for ethyl carbocation: A fingerprint for nonclassical hydrogen-bridged structures,” J. Am. Chem. Soc. (Communication) 117, 8476-8477 (1995).

  9. J. Q. Sun and R. J. Bartlett, “Correlated prediction of the photoelectron spectrum of polyethylene: explanation of XPS and UPS measurements,” Phys. Rev. Lett. 77, 3669-3672 (1996).

  10. A. Perera and R.J. Bartlett, "Structure and NMR spectra of the 2-norbornyl carbocation: prediction of 1J(13C13C) for the bridged, pentacoordinate carbon atom," J. Am. Chem. Soc. (Communication). 118, 7848-7850 (1996).

  11. A. Perera and R.J. Bartlett, " NMR spin-spin coupling constants for hydrogen bonds of [F(HF)n]-, n=1-4, clusters," J. Am. Chem. Soc. (Communication). 122, 1231-1232 (2000).

  12. J. Del Bene and R.J. Bartlett, "N-N spin-spin coupling constants [2hJ(15N-15N] across N-HN hydrogen bonds in neutral complexes: to what extent does the bonding at the nitrogens influence 2hJN-N ?" J. Am. Chem. Soc. (Communication). 122, 10480-10481 (2000).


CLICK ON LINKS BELOW TO NAVIGATE THROUGH THE CV


Education

Academic Positions

Editorial Positions

Other academic affiliations

Nonacademic Positions

Honors, Professional Societies & Fellowships

RESEARCH GRANTS

Consultation Outside UF

Invited Lectures at Professional Conferences

Specially Invited Lectureships

Invited Colloquia

Meetings Organized

Publications - Books

Publications - Journals: (1970's) (1980’s) (1990’s) (2000’s) IN PRESS

Other Publications

PATENT

PhD STUDENTS

CURRENT STUDENTS & SCIENTIFIC PERSONNEL

VISITING PROFESSORS

FORMER POSTDOCS

Return to TOP



Download 0.5 Mb.

Share with your friends:
1   2   3   4   5   6   7   8   9   10




The database is protected by copyright ©ininet.org 2024
send message

    Main page