30 citations · 115 across the 7 of their papers we have counts for
7 papers
Conformation And Mechanical Response of Spray Deposited Single Strand DNA on Gold
Remy Pawlak, J. G. Vilhena, Antoine Hinaut +7
Single molecule force spectroscopy of DNA strands adsorbed at surfaces is a powerful technique used in air or liquid environments to quantify their mechanical properties. Although…
Construction of the B88 exchange-energy functional in two dimensions
J. G. Vilhena, E. Rasanen, M. A. L. Marques +1
We construct a generalized-gradient approximation for the exchange-energy density of finite two-dimensional systems. Guided by non-empirical principles, we include the proper small…
On the violation of a local form of the Lieb-Oxford bound
J. G. Vilhena, E. Rasanen, L. Lehtovaara +1
In the framework of density-functional theory, several popular density functionals for exchange and correlation have been constructed to satisfy a local form of the Lieb-Oxford bou…
On the Kirzhnits gradient expansion in two dimensions
A. Putaja, E. Rasanen, R. van Leeuwen +2
We derive the semiclassical Kirzhnits expansion of the D-dimensional one-particle density matrix up to the second order in . We focus on the two-dimensional (2D) case and sh…
Excitonic effects in the optical properties of CdSe nanowires
J. G. Vilhena, S. Botti, M. A. L. Marques
Using a first-principle approach beyond density functional theory we calculate the electronic and optical properties of small diameter CdSe nanowires.Our results demonstrate how so…
Semi-local density functional for the exchange-correlation energy of electrons in two dimensions
E. Rasanen, S. Pittalis, J. G. Vilhena +1
We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional ge…
Density gradients for the exchange energy of electrons in two dimensions
S. Pittalis, E. Rasanen, J. G. Vilhena +1
We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations…