Dr. Nicole Helbig - Publications

These papers are ordered by article relevance.

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)