TY - JOUR
KW - paper
KW - TDDFT
AU - Francesco Sottile
AU - Margherita Marsili
AU - Olevano V
AU - Lucia Reining
AB - We present calculations of the absorption spectrum of semiconductors and insulators comparing various approaches: (i) the two-particle Bethe-Salpeter equation of many-body perturbation theory; (ii) time-dependent density-functional theory using a recently developed kernel that was derived from the Bethe-Salpeter equation; and (iii) a mapping scheme that we propose in the present work and that allows one to derive different parameter-free approximations to (ii). We show that all methods reproduce the series of bound excitons in the gap of solid argon, as well as continuum excitons in semiconductors. This is even true for the simplest static approximation, which allows us to reformulate the equations in a way such that the scaling of the calculations with the number of atoms equals the one of the random phase approximation.
BT - Phys. Rev. B
CY - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
DA - OCT
DO - 10.1103/PhysRevB.76.161103
M1 - 16
N2 - We present calculations of the absorption spectrum of semiconductors and insulators comparing various approaches: (i) the two-particle Bethe-Salpeter equation of many-body perturbation theory; (ii) time-dependent density-functional theory using a recently developed kernel that was derived from the Bethe-Salpeter equation; and (iii) a mapping scheme that we propose in the present work and that allows one to derive different parameter-free approximations to (ii). We show that all methods reproduce the series of bound excitons in the gap of solid argon, as well as continuum excitons in semiconductors. This is even true for the simplest static approximation, which allows us to reformulate the equations in a way such that the scaling of the calculations with the number of atoms equals the one of the random phase approximation.
PB - AMER PHYSICAL SOC
PP - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
PY - 2007
EP - 161103
T2 - Phys. Rev. B
TI - Efficient ab initio calculations of bound and continuum excitons in the absorption spectra of semiconductors and insulators
UR - http://dx.doi.org/10.1103/PhysRevB.76.161103
VL - 76
ER -