Journal Article Research Support, Non-U.S. Gov't benchmarking density functional theory noncovalent interactions 059QF0KO0R CBS-QB3 Comment Coordination Complexes Letter London dispersion Organometallic Compounds Peptides TD-DFT W1-F12 theory Water charge-transfer excitations density functional theory benchmarking dispersion corrections double hybrid • DHDFT • post-MP2 • density functional theory double hybrids double-hybrid density functionals excimers excited states geometry optimizations noncovalent interaction in excited states pericyclic reactions range separation reaction barrier heights spin‐component scaling