6 research outputs found
Ab initio many-body calculation of excitons in solid Ne and Ar
Full text linkAbsorption spectra, exciton energy levels and wave functions for solid Ne and
Ar have been calculated from first principles using many-body techniques.
Electronic band structures of Ne and Ar were calculated using the GW
approximation. Exciton states were calculated by diagonalizing an exciton
Hamiltonian derived from the particle-hole Green function, whose equation of
motion is the Bethe-Salpeter equation. Singlet and triplet exciton series up to
n=5 for Ne and n=3 for Ar were obtained. Binding energies and
longitudinal-transverse splittings of n=1 excitons are in excellent agreement
with experiment. Plots of correlated electron-hole wave functions show that the
electron-hole complex is delocalised over roughly 7 a.u. in solid Ar.Comment: 6 page
