Inside Cover, Volume 114, Issue 5


Abstract

image

The paper by Jonas Boström, Valera Veryazov, Francesco Aquilante, Thomas Bondo Pedersen, and Roland Lindh on page 321 discusses speeding up the calculation of atomic forces from correlated electronic structure theory using the Cholesky decomposition instead of conventional Gaussian two-electron integrals. The cover shows two molecules on a race track with atomic forces conventionally depicted as arrows and two watches. Cholesky and Boys were the individuals behind the decomposition and the Gaussian-type orbitals that paved the way for modern-day integral processing in quantum chemistry.

Ancillary