Shavitt

Boys S F 1950 Eleetronie wave funetions II. A ealeulation for the ground state of the beryllium atom Proc. R. See. A 201 125-37 Shavitt I 1977 The method of eonfiguration interaetion Modern Theoretical Chemistry vo 3, ed H F III Sehaefer (New York Plenum) pp 189-275... 

Paldus J, Cizek J and Shavitt I 1972 Correlation problems in atomic and... 

I. Shavitt, Advanced Theories and Computational Approaches to the Electronic Structure... 

I. Shavitt, Methods of Electronic Structure Theory H. F. Schaefer III, 189, Plenum, New York (1977). 

I. Shavitt, Advanced Theories and Computational Approaches to the Electronic Structure of Molecules C. E. Dykstra, Ed., 185, Reidel, Dordrecht (1984). 

Leo Radom (Canberra, Australia) Klaus Ruedenberg (Ames, Iowa) Henry F. Schaefer III (Athens, Georgia) Isaiah Shavitt (Columbus, Ohio)... 

Let us now improve our two-body model by allowing the molecule of water to vibrate. A rather straightforward way to achieve the goal is simply to consider the potential energy between the two molecules as a sum of two contributions, one arising from the intermolecular and the second from the intramolecular motions an approximate interaction potential has been reported by Lie and dementi rather recently, where the intramolecular potential was simply taken over from the many body perturbation computation by Bartlett, Shavitt, and Purvis. The potential will henceforth be referred to as MCYL. 

Ojamae, L., Shavitt, I., Singer, S. J., 1995, Potential Energy Surfaces and Vibrational Spectra of H502+ and Larger Hydrated Proton Complexes , Int. J. Quant. Chem. Symp., 29, 657. 

Ojamae L, Shavitt I, Singer SJ (1998) Potential models for simulations of the solvated proton in water. J Chem Phys 109(13) 5547-5564... 

Shavitt I (1977) The method of configuration interaction. In Schaefer III HF (ed) Methods of Electronic Structure Theory, vol. 4 of Modern Theoretical Chemistry Plenum Press, New York pp 189-275... 

Quinn, J.R., Ziemmerman, S.C., Del Bene, J.E. and Shavitt, I. (2007) Does the A-Tor GC base-pair possess enhanced stability Quantifying... 

I. Shavitt, Int. ]. Quantum Chem. Quantum Chem, Symp., 12, 5 (1978). Matrix Element... 

I. Shavitt, Department of Chemistry, Ohio State University, Columbus, Ohio, USA... 

Shavitt, I. In Modem Theoretical Chemistry, Schaefer, H. F., Ed. Plenum Press New York, 1977. 

I. Shavitt The Method of Configuration Interaction., in H. F. S. Ill (ed.) Methods of Electronic Stmcture Theory., Plenum Press, New York, pp 189(1977). 

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