Anders Hutcheson

TL;DR: The eT program as discussed by the authors is an open source electronic structure package with emphasis on coupled cluster and multilevel methods, including efficient spin adapted implementations of ground and excited singlet states, as well as equation of motion oscillator strengths.

TL;DR: The eT program, an open source electronic structure package with emphasis on coupled cluster and multilevel methods, has similar advantages as codes using density fitting, but with strict error control and is expected to become a valuable resource to the electronic structure community.

TL;DR: In this article, the use of coupled cluster models for describing ground and singlet excited state potential energy surfaces of photoswitchable systems was explored, and it was shown that when triple excitations (here through the CC3 model) are included, ground and excited state energy surfaces for isomerization paths may reliably be generated, also for states of doubly excited character.

TL;DR: In this paper , the Hartree-Fock (HF) energy and the electronic density of the target region were investigated without first converging the ground-state energy of that region, and it was shown that the energy of a target region will not converge with cluster size.