Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction

Alan D. Chien, Adam A. Holmes, Matthew Otten +3

The electronically excited states of methylene (CH${}_2$), ethylene (C${}_2$H${}_4$), butadiene (C${}_4$H${}_6$), hexatriene (C${}_6$H${}_8$), and ozone (O${}_3$) have long proven challenging due…