Isaiah Shavitt, Ph.D.

Chemistry Ohio State University, Columbus, Columbus, OH 
Computational quantum chemistry
"Isaiah Shavitt"

Mean distance: 9.57
BETA: Related publications


You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

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
See more...