People
Last update: 12 December 2005

John Montgomery

Email: johnm@gaussian.com

Senior Research Scientist, Gaussian, Inc.
Ph.D., Chemical Physics, Columbia University.

Contributions to Gaussian: CBS methods; DFT facilities; parallel execution; basis sets and ECPs; Windows versions; general program development.

• Computational thermochemistry, including complete basis set (CBS) methods
• Density functional (DFT) methods
• Reaction path methods and reaction rate theory
• Applications to atmospheric and combustion chemistry
• Computational chemistry on commodity platforms

G. A. Petersson, S. Zhong, J. A. Montgomery, Jr,. M. J. Frisch, "On the optimization of Gaussian basis sets", J. Chem. Phys., 118 (2003) 1101.

A. J. Austin, M. J. Frisch, J. A. Montgomery, Jr., G. A Petersson, "An overlap criterion for selection of core orbitals", Theor. Chem. Acc., 107 (2002) 180.

J. A. Montgomery, Jr., M. J. Frisch, J. W. Ochterski, G. A. Petersson, "A complete basis set model chemistry VII: Use of the minimum population localization method", J. Chem. Phys., 112 (2000) 6532.

J. A. Montgomery, Jr., M. J. Frisch, J. W. Ochterski, and G. A. Petersson, "A complete basis set model chemistry VI. Use of density functional geometries and frequencies", J. Chem. Phys. 110 (1999) 2882.

D. K. Malick, G. A. Petersson, and J. A. Montgomery, Jr., "Transition states for chemical reactions I. Geometry and classical barrier height", J. Chem. Phys. 108 (1998) 5704.

G. A. Petersson, D. K. Malick, W. G. Wilson, J. W. Ochterski, J. A. Montgomery, Jr., and M. J. Frisch, "Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry", J. Chem. Phys. 109 (1998) 10570.

J. W. Ochterski, G. A. Petersson, and J. A. Montgomery, Jr., "A complete basis set model chemistry V. Extensions to six or more heavy atoms", J. Chem. Phys. 104 (1996) 2598.