LAUSR

A software update solving the Bethe−Salpeter equation (BSE) is reported for the ESCF module of the TURBOMOLE program for the theoretical description of electronically excited states of atoms and molecules. A resolution‐of‐the‐identity (RI) approximation is used for all two‐electron electron‐repulsion integrals that are required for solving the equation. Symmetry is utilized for the point group D2h and its subgroups, and the BSE approach can be applied in either a spin‐restricted or a spin‐unrestricted Kohn−Sham formalism. Triplet as well as singlet excited states of closed‐shell atoms and molecules can be treated in the spin‐restricted formalism. As a side product, the present software update also allows for the application of the RI approximation to the Hartree−Fock exchange contribution that occurs when a hybrid functional is used in time‐dependent density‐functional theory. © 2016 Wiley Periodicals, Inc.