SIGNIFICANT PUBLICATIONS IN THEORY AND APPLICATION

12 SIGNIFICANT PUBLICATIONS IN THEORY AND APPLICATION

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).
    

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, C_n^- 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-H^…N hydrogen bonds in neutral complexes: to what extent does the bonding at the nitrogens influence ^2hJ_N-N ?" J. Am. Chem. Soc. (Communication). 122, 10480-10481 (2000).
    

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