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Isaiah Shavitt, Ph.D.

Affiliations: 
Chemistry Ohio State University, Columbus, Columbus, OH 
Area:
Computational quantum chemistry
Website:
https://en.wikipedia.org/wiki/Isaiah_Shavitt
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"Isaiah Shavitt"
Bio:

http://www.iaqms.org/deceased/shavitt.php

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Parents

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Samuel Francis Boys grad student 1957 Cambridge
Joseph O. Hirschfelder post-doc UW Madison
Martin Karplus post-doc Harvard

Children

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Uzi Kaldor grad student 1964-1966 Technion
Thom H. Dunning post-doc 1970-1973 Battelle Memorial Institute

Collaborators

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Rodney J. Bartlett collaborator Argonne National Laboratory
Russel M. Pitzer collaborator Ohio State
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Publications

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Lischka H, Müller T, Szalay PG, et al. (2011) Columbus-a program system for advanced multireference theory calculations Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 191-199
Shavitt I, Bartlett RJ. (2009) Many – body methods in chemistry and physics: MBPT and coupled-cluster theory Many - Body Methods in Chemistry and Physics: Mbpt and Coupled-Cluster Theory. 1-532
Del Bene JE, Shavitt I. (2009) Comparison of methods for determining the correlation contribution to hydrogen bond energies International Journal of Quantum Chemistry. 36: 445-452
Shavitt I. (2009) Matrix element evaluation in the unitary group approach to the electron correlation problem International Journal of Quantum Chemistry. 14: 5-32
Bartlett RJ, Shavitt I. (2009) Determination of the size-consistency error in the single and double excitation configuration interaction model International Journal of Quantum Chemistry. 12: 165-173
Shavitt I. (2009) Graph theoretical concepts for the unitary group approach to the many-electron correlation problem International Journal of Quantum Chemistry. 12: 131-148
Shavitt I, Rosenberg BJ, Palalikit S. (2009) Comparison of configuration interaction expansions based on different orbital transformations International Journal of Quantum Chemistry. 10: 33-46
Shepard R, Shavitt I, Lischka H. (2002) Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations. Journal of Computational Chemistry. 23: 1121-5
Lischka H, Shepard R, Pitzer RM, et al. (2001) High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density Physical Chemistry Chemical Physics. 3: 664-673
Ciobanu CV, Ojamäe L, Shavitt I, et al. (2000) Structure and vibrational spectra of H+(H2O)8: Is the excess proton in a symmetrical hydrogen bond? Journal of Chemical Physics. 113: 5321-5330
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