Dr. Nicole Helbig - Publications


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These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade, Heiko Appel, Carlos H. Borca, Guillaume Le Breton, Florian Buchholz, Alberto Castro, Stefano Corni, Alfredo A. Correa, Umberto De Giovannini, Alain Delgado, Florian G. Eich, Johannes Flick, Gabriel Gil, Adrián Gomez, Nicole Helbig, Hannes Hübener, René Jestädt, Joaquim Jornet-Somoza, Ask H. Larsen, Irina V. Lebedeva, Martin Lüders, Miguel A. L. Marques, Sebastian T. Ohlmann, Silvio Pipolo, Markus Rampp, Carlo A. Rozzi, David A. Strubbe, Shunsuke A. Sato, Christian Schäfer, Iris Theophilou, Alicia Welden, Angel Rubio
Journal of Chemical Physics 152, 124119 (2020)
Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory
Iris Theophilou, Nektarios N. Lathiotakis, Nicole Helbig
Journal Of Chemical Theory And Computation 12, 2668 - 2678 (2016)
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Ángel Rubio
Physical Chemistry Chemical Physics 17, 31371-31396 - 31396 (2015)
Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
Iris Theophilou, Nektarios N. Lathiotakis, Nikitas I. Gidopoulos, Angel Rubio, Nicole Helbig
Journal of Chemical Physics 143, 054106 (2015)
Generalized Pauli constraints in reduced density matrix functional theory
Iris Theophilou, Nektarios N. Lathiotakis, Miguel A. L. Marques, Nicole Helbig
Journal of Chemical Physics 142, 154108 (2015)
Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations
N.N. Lathiotakis, N. Helbig, A. Rubio, N. I. Gidopoulos
Physical Review A 90, 032511 (2014)
Quasi-particle energy spectra in local reduced density matrix functional theory
Nektarios N. Lathiotakis,Nicole Helbig, Angel Rubio, Nikitas I. Gidopoulos
Journal of Chemical Physics 141, 164120 (2014)
Non-linear phenomena in time-dependent density-functional theory: What Rabi physics can teach us
J.I. Fuks, N. Helbig, I.V. Tokatly, A. Rubio
Physical Review B 84, 75107 (2011)
Density functional theory beyond the linear regime: Validating an adiabatic local density approximation
N. Helbig,J. I. Fuks, M. Casula, M. J. Verstraete, M. A. L. Marques, I. V. Tokatly,, A. Rubio
Physical Review A 83, 032503 (2011)
Fractional spin in reduced density-matrix functional theory
Helbig, N., Theodorakopoulos, G., Lathiotakis, N.N.
Journal of Chemical Physics 135, 054109 (2011)
Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations
N. Helbig, J.I. Fuks, I.V. Tokatly, H. Appel, E.K.U. Gross,A. Rubio
Chemical Physics 391, 1 - 10 (2011)
Physical meaning of the natural orbitals: Analysis of exactly solvable models
N. Helbig, I.V. Tokatly, A. Rubio
Physical Review A 81, 022504 (2010)
Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory
N.N. Lathiotakis , N.I. Gidopoulos, N. Helbig
Journal of Chemical Physics 132, 084105 (2010)
Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory
Lathiotakis, N.N., Sharma, S., Helbig, N., Dewhurst, J.K., Marques, M.A.L., Eich, F., Baldsiefen, T., Zacarias, A., Gross, E.K.U.
Zeitschrift Fur Physikalische Chemie-International Journal Of Research In P 224, 467 - 480 (2010)
Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems
N. Helbig, N.N. Lathiotakis,, E.K.U. Gross
Physical Review A 79, 22504 (2009)