T
Tom Ziegler
Researcher at University of Calgary
Publications - 430
Citations - 29653
Tom Ziegler is an academic researcher from University of Calgary. The author has contributed to research in topics: Density functional theory & Time-dependent density functional theory. The author has an hindex of 80, co-authored 430 publications receiving 27857 citations. Previous affiliations of Tom Ziegler include VU University Amsterdam & Los Alamos National Laboratory.
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A Combined Charge and Energy Decomposition Scheme for Bond Analysis
TL;DR: The ETS-NOCV scheme offers a compact, qualitative, and quantitative picture of the chemical bond formation within one common theoretical framework and can be widely used for the description of different types of chemical bonds.
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The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration
Louis Versluis,Tom Ziegler +1 more
TL;DR: In this paper, an algorithm based on numerical integration was proposed for the evaluation of analytical energy gradients within the Hartree-Fock-Slater (HFS) method.
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A theoretical study of the ethylene-metal bond in complexes between copper(1+), silver(1+), gold(1+), platinum(0) or platinum(2+) and ethylene, based on the Hartree-Fock-Slater transition-state method
Tom Ziegler,Arvi Rauk +1 more
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An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package
Cory C. Pye,Tom Ziegler +1 more
TL;DR: In this article, the conductor-like screening model (COSMO) of solvation has been implemented in the Amsterdam density functional program with maximum flexibility in mind, and four cavity definitions have been incorporated.