Inside Cover, Volume 114, Issue 9



The self-energy shifting for the second-order response matrix in combination with the use of a damping parameter is efficiently implemented for calculations of medium-sized molecular systems, including glycine and naphthalene. The approach provides coupled-cluster with singles and doubles (CCSD)-like accuracy at a more affordable computational expense. On page 577(DOI: 10.1002/qua.24625), Masaaki Saitow, Tomonori Ida, and Yuji Mochizuki present results for several small- to medium-sized molecules, followed by promising agreements that are confirmed for both Rydberg and valence excitations.