17 citations · 17 across the 3 of their papers we have counts for
7 papers
Learning electron densities in the condensed phase
Alan M. Lewis, Andrea Grisafi, Michele Ceriotti +1
We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which e…
Ab Initio Linear and Pump-Probe Spectroscopy of Excitons in Molecular Crystals
Alan M. Lewis, Timothy C. Berkelbach
Linear and non-linear spectroscopies are powerful tools used to investigate the energetics and dynamics of electronic excited states of both molecules and crystals. While highly ac…
Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities
Alan M. Lewis, Timothy C. Berkelbach
The accurate calculation of excited state properties of interacting electrons in the condensed phase is an immense challenge in computational physics. Here, we use state-of-the-art…
Vertex corrections to the polarizability do not improve the GW approximation for the ionization potential of molecules
Alan M. Lewis, Timothy C. Berkelbach
The approximation is based on the neglect of vertex corrections, which appear in the exact self-energy and the exact polarizability. Here, we investigate the importance of ver…
On the low magnetic field effect in radical pair reactions
Alan M. Lewis, Thomas P. Fay, David E. Manolopoulos +3
Radical pair recombination reactions are known to be sensitive to the application of both low and high magnetic fields. The application of a weak magnetic field reduces the singlet…
Spin-dependent charge recombination along para-phenylene molecular wires
Thomas P. Fay, Alan M. Lewis, David E. Manolopoulos
We have used an efficient new quantum mechanical method for radical pair recombination reactions to study the spin-dependent charge recombination along PTZ--Ph--PD…