466 citations · 4.3k across the 81 of their papers we have counts for
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Excitation energies from G{ö}rling-Levy perturbation theory along the range-separated adiabatic connection
Elisa Rebolini, Andrew M. Teale, Trygve Helgaker +2
A G{ö}rling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with…
Casimir-Polder size consistency -- a constraint violated by some dispersion theories
Tim Gould, Julien Toulouse, János Ángyán +1
A key goal in quantum chemistry methods, whether ab initio or otherwise, is to achieve size consistency. In this manuscript we formulate the related idea of "Casimir-Polder size co…
Multiconfigurational Short-Range Density-Functional Theory for Open-Shell Systems
Erik Donovan Hedegård, Julien Toulouse, Hans Jørgen Aagaard Jensen
Many chemical systems cannot be described by quantum chemistry methods based on a singlereference wave function. Accurate predictions of energetic and spectroscopic properties requ…
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
Emanuele Coccia, Roland Assaraf, Eleonora Luppi +1
We propose a method for obtaining effective lifetimes of scattering electronic states for avoiding the artificially confinement of the wave function due to the use of incomplete ba…
Time-dependent linear-response variational Monte Carlo
Bastien Mussard, Emanuele Coccia, Roland Assaraf +3
We present the extension of variational Monte Carlo (VMC) to the calculation of electronic excitation energies and oscillator strengths using time-dependent linear-response theory.…