Tom Ziegler, Ph.D.

1986-2015 Chemistry University of Calgary, Calgary, Alberta, Canada 
density functional theory, catalysis, ab initio molecular dynamics, electronic structure theory
"Tom Ziegler"
Mean distance: 20.12
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.

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
See more...