Tom Ziegler, Ph.D.
Affiliations: | 1986-2015 | Chemistry | University of Calgary, Calgary, Alberta, Canada |
Area:
density functional theory, catalysis, ab initio molecular dynamics, electronic structure theoryGoogle:
"Tom Ziegler"Mean distance: 20.12
Parents
Sign in to add mentor| Arvi Rauk | grad student | 1972-1978 | University of Calgary |
| Evert Jan Baerends | post-doc | VU Amsterdam |
Children
Sign in to add trainee| Tom K. Woo | grad student | 1994-1998 | University of Calgary |
| Kumar Vanka | grad student | 2004 | University of Calgary (Neurotree) |
| Jochen Autschbach | post-doc | University of Calgary | |
| Luigi Cavallo | post-doc | ||
| Paul Fleurat-Lessard | post-doc | Université de Bourgogne | |
| F. Matthias Bickelhaupt | post-doc | 1994-1994 | University of Calgary |
| Miquel Solà | post-doc | 1994-1995 | University of Calgary |
BETA: Related publications
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Publications
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| Park YC, Senn F, Krykunov M, et al. (2016) Self-Consistent Constricted Variational Theory RSCF-CV(∞)-DFT and its Restrictions to Obtain a Numerically Stable ΔSCF-DFT-like Method: Theory and Calculations for Triplet States. Journal of Chemical Theory and Computation |
| Seidu I, Krykunov M, Ziegler T. (2015) Applications of Time-Dependent and Time-Independent Density Functional Theory to Electronic Transitions in Tetrahedral d(0) Metal Oxides. Journal of Chemical Theory and Computation. 11: 4041-4053 |
| Ziegler T, Krykunov M, Seidu I, et al. (2015) Constricted Variational Density Functional Theory Approach to the Description of Excited States. Topics in Current Chemistry |
| Seidu I, Krykunov M, Ziegler T. (2015) Applications of time-dependent and time-independent density functional theory to Rydberg transitions. The Journal of Physical Chemistry. A. 119: 5107-16 |
| Park YC, Krykunov M, Ziegler T. (2015) On the relation between adiabatic time dependent density functional theory (TDDFT) and the ΔsCF-DFT method. Introducing a numerically stable ΔsCF-DFT scheme for local functionals based on constricted variational DFT Molecular Physics. 113: 1636-1647 |
| Ziegler T, Krykunov M, Autschbach J. (2014) Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional. Journal of Chemical Theory and Computation. 10: 3980-6 |
| Zhekova H, Krykunov M, Autschbach J, et al. (2014) Applications of Time Dependent and Time Independent Density Functional Theory to the First π to π* Transition in Cyanine Dyes. Journal of Chemical Theory and Computation. 10: 3299-307 |
| Krykunov M, Seth M, Ziegler T. (2014) Introducing constricted variational density functional theory in its relaxed self-consistent formulation (RSCF-CV-DFT) as an alternative to adiabatic time dependent density functional theory for studies of charge transfer transitions. The Journal of Chemical Physics. 140: 18A502 |
| Brela M, Michalak A, Power PP, et al. (2014) Analysis of the bonding between two M(μ-NAr(#)) monomers in the dimeric metal(II) imido complexes {M(μ-NAr(#))}2 [M = Si, Ge, Sn, Pb; Ar(#) = C6H3-2,6-(C6H2-2,4,6-R3)2]. The stabilizing role played by R = Me and iPr. Inorganic Chemistry. 53: 2325-32 |
| Shishkin M, Ziegler T. (2014) Direct modeling of the electrochemistry in the three-phase boundary of solid oxide fuel cell anodes by density functional theory: a critical overview. Physical Chemistry Chemical Physics : Pccp. 16: 1798-808 |