36 citations · 75 across the 5 of their papers we have counts for
5 papers
Single determinant approximation for ground and excited states with accuracy comparable to that of the configuration interaction
S. Thanos, A. K. Theophilou, M. Tassi
It was realized from the early days of Chemical Physics (Rev. Mod. Phys. 35, 496 (1963)) that the energy of the Slater determinant (SlDet) , obtained by th…
RT-TDDFT study of hole oscillations in B-DNA monomers and dimers
M. Tassi, A. Morphis, K. Lambropoulos +1
We employ Real-Time Time-Dependent Density Functional Theory to study hole oscillations within a B-DNA monomer (one base pair) or dimer (two base pairs). Placing the hole initially…
Wire and extended ladder model predict THz oscillations in DNA monomers, dimers and trimers
K. Lambropoulos, K. Kaklamanis, A. Morphis +6
We call \textit{monomer} a B-DNA base pair and study, analytically and numerically, electron or hole oscillations in \textit{monomers}, \textit{dimers} and \textit{trimers}. We emp…
Electronic structure and carrier transfer in B-DNA monomer polymers and dimer polymers: Stationary and time-dependent aspects of wire model vs. extended ladder model
K. Lambropoulos, M. Chatzieleftheriou, A. Morphis +5
We employ two Tight-Binding (TB) approaches to study the electronic structure and hole or electron transfer in B-DNA monomer polymers and dimer polymers made up of monomers (ba…
Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme
Iris Theophilou, M. Tassi, S. Thanos
Photoinduced charge-transfer processes play a key role for novel photovoltaic phenomena and devices. Thus, the development of ab initio methods that allow for an accurate and compu…