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The Journal of Chemical Physics|July 10, 2015
Orbitals with intermediate localization and low coupling: spanning the gap between canonical and localized orbitalsPaul M Zimmerman, Andrew R Molina, Peter SmerekaJournal of Chemical Theory and Computation|February 26, 2016
Optimizing Vibrational Coordinates To Modulate Intermode CouplingPaul M Zimmerman, Peter SmerekaThe Journal of Chemical Physics|April 3, 2016
Exploring the relationship between vibrational mode locality and coupling using constrained optimizationAndrew Molina, Peter Smereka, Paul M ZimmermanPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 15, 2016
Modeling the elastic energy of alloys: Potential pitfalls of continuum treatmentsArvind Baskaran, Christian Ratsch, Peter SmerekaJournal of Computational Chemistry|January 13, 2015
Single-ended transition state finding with the growing string methodPaul M ZimmermanThe Journal of Physical Chemistry. A|May 23, 2017
Singlet-Triplet Gaps through Incremental Full Configuration InteractionPaul M ZimmermanJournal of Computational Chemistry|March 20, 2013
Automated discovery of chemically reasonable elementary reaction stepsPaul M ZimmermanThe Journal of Chemical Physics|November 23, 2017
Strong correlation in incremental full configuration interactionPaul M ZimmermanThe Journal of Chemical Physics|March 17, 2017
Incremental full configuration interactionPaul M ZimmermanThe Journal of Chemical Physics|May 17, 2013
Growing string method with interpolation and optimization in internal coordinates: method and examplesPaul M ZimmermanPageof 14