Chemically-AccuRate Excited States – CARES

CARES is a theoretical chemistry project aiming to provide a large and diverse database of chemically-accurate reference values for excited-state calculations. Building on the experience of the two groups involved in the project, the objectives of CARES are: i) to develop a new selected CI algorithm allowing reaching chemically-accurate results for large compounds; ii) to extend the currently-available database to properties relevant for both core spectroscopies and dynamic studies; iii) to benchmark a large panel of low-order popular and emerging methods including density-based and wavefunction-based theories; iv) to provide a free and user-friendly interface to download all key results, in particular the reference data.