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The Journal of Chemical Physics
|
April 6, 2013
Double excitations from modified Hartree Fock subsequent minimization scheme
M Tassi, Iris Theophilou, S Thanos
The Journal of Chemical Physics
|
May 3, 2014
Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme
Iris Theophilou, M Tassi, S Thanos
The Journal of Chemical Physics
|
December 25, 2007
Spin contamination for Hartree-Fock, optimized effective potential, and density functional approximations
Iris Theophilou, S Thanos, A K Theophilou
Journal of Chemical Theory and Computation
|
May 13, 2016
Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory
Iris Theophilou, Nektarios N Lathiotakis, Nicole Helbig
The Journal of Chemical Physics
|
March 24, 2018
Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study
Iris Theophilou, Nektarios N Lathiotakis, Nicole Helbig
Journal of Chemical Theory and Computation
|
August 21, 2020
Virial Relations for Electrons Coupled to Quantum Field Modes
Iris Theophilou, Markus Penz, Michael Ruggenthaler, et al.
Journal of Chemical Theory and Computation
|
September 7, 2019
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
Uliana Mordovina, Teresa E Reinhard, Iris Theophilou, et al.
Journal of Chemical Theory and Computation
|
July 4, 2018
Kinetic-Energy Density-Functional Theory on a Lattice
Iris Theophilou, Florian Buchholz, F G Eich, et al.
The Journal of Chemical Physics
|
April 24, 2015
Generalized Pauli constraints in reduced density matrix functional theory
Iris Theophilou, Nektarios N Lathiotakis, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
August 10, 2015
Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
Iris Theophilou, Nektarios N Lathiotakis, Nikitas I Gidopoulos, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 6, 2013
Double excitations from modified Hartree Fock subsequent minimization scheme
M Tassi, Iris Theophilou, S Thanos
The Journal of Chemical Physics
|
May 3, 2014
Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme
Iris Theophilou, M Tassi, S Thanos
The Journal of Chemical Physics
|
December 25, 2007
Spin contamination for Hartree-Fock, optimized effective potential, and density functional approximations
Iris Theophilou, S Thanos, A K Theophilou
Journal of Chemical Theory and Computation
|
May 13, 2016
Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory
Iris Theophilou, Nektarios N Lathiotakis, Nicole Helbig
The Journal of Chemical Physics
|
March 24, 2018
Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study
Iris Theophilou, Nektarios N Lathiotakis, Nicole Helbig
Journal of Chemical Theory and Computation
|
August 21, 2020
Virial Relations for Electrons Coupled to Quantum Field Modes
Iris Theophilou, Markus Penz, Michael Ruggenthaler, et al.
Journal of Chemical Theory and Computation
|
September 7, 2019
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
Uliana Mordovina, Teresa E Reinhard, Iris Theophilou, et al.
Journal of Chemical Theory and Computation
|
July 4, 2018
Kinetic-Energy Density-Functional Theory on a Lattice
Iris Theophilou, Florian Buchholz, F G Eich, et al.
The Journal of Chemical Physics
|
April 24, 2015
Generalized Pauli constraints in reduced density matrix functional theory
Iris Theophilou, Nektarios N Lathiotakis, Miguel A L Marques, et al.
The Journal of Chemical Physics
|
August 10, 2015
Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
Iris Theophilou, Nektarios N Lathiotakis, Nikitas I Gidopoulos, et al.
Page
of 2