36 citations · 129 across the 9 of their papers we have counts for
9 papers
Nuclear and magnetic structure of an epitaxial LaSrMnO film using diffraction methods
Himanshu Himanshu, Elisa Rebolini, Ketty Beauvois +6
We use a combination of transmission electron microscopy, X-Ray and neutron diffraction, SQUID magnetometry and symmetry analysis to determine the nuclear and magnetic structure of…
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…
Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel
Elisa Rebolini, Julien Toulouse
We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel…
Calculating excitation energies by extrapolation along adiabatic connections
Elisa Rebolini, Julien Toulouse, Andrew M. Teale +2
In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of th…
Excitation energies along a range-separated adiabatic connection
Elisa Rebolini, Julien Toulouse, Andrew M. Teale +2
We present a study of the variation of total energies and excitationenergies along a range-separated adiabatic connection. This connectionlinks the non-interacting Kohn-Sham electr…
Excited states from range-separated density-functional perturbation theory
Elisa Rebolini, Julien Toulouse, Andrew M. Teale +2
We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a parti…
Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients
Julien Toulouse, Elisa Rebolini, Tim Gould +3
We assess a variant of linear-response range-separated time-dependent density-functional theory (TDDFT), combining a long-range Hartree-Fock (HF) exchange kernel with a short-range…
Electronic excitations from a linear-response range-separated hybrid scheme
Elisa Rebolini, Andreas Savin, Julien Toulouse
We study linear-response time-dependent density-functional theory (DFT) based on the single-determinant range-separated hybrid (RSH) scheme, i.e. combining a long-range Hartree-Foc…
Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H2 molecule
Elisa Rebolini, Julien Toulouse, Andreas Savin
We review the Bethe-Salpeter equation (BSE) approach to the calculation of electronic excitation energies of molecular systems. We recall the general Green's function many-theory f…