78 citations · 292 across the 13 of their papers we have counts for
6 papers · 1 filter
Identification of nickel-vacancy defect in the photocurrent spectrum of diamond by means of \emph{ab initio} calculations
E. Londero, E. Bourgeois, M. Nesladek +1
There is a continuous search for solid-state spin qubits operating at room temperature with excitation in the IR communication bandwidth. Recently we have introduced the photoelect…
\emph{Ab initio} theory of defect as quantum memory in diamond
Péter Udvarhelyi, Gergő Thiering, Elisa Londero +1
defect in diamond is characterized by means of \emph{ab initio} methods relying on density functional theory calculated parameters of a Hubbard model Hamilto…
A Harris-type van der Waals density functional scheme
Kristian Berland, Elisa Londero, Elsebeth Schroder +1
Large biomolecular systems, whose function may involve thousands of atoms, cannot easily be addressed with parameter-free density functional theory (DFT) calculations. Until recent…
Desorption of n-alkanes from graphene: a van der Waals density functional study
Elisa Londero, Emma K. Karlson, Marcus Landahl +3
A recent study of temperature programmed desorption (TPD) measurements of small n-alkanes (CNH2N+2) from C(0001) deposited on Pt(111) shows a linear relationship of the desorption…
Vanadium pentoxide (V2O5): a van der Waals density functional study
Elisa Londero, Elsebeth Schroder
The past few years has brought renewed focus on the physics behind the class of materials characterized by long-range interactions and wide regions of low electron density, sparse…
Role of van der Waals bonding in layered oxide: Bulk vanadium pentoxide
Elisa Londero, Elsebeth Schroder
Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and ot…