Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules

Budzák, Šimon, 1982-

Accurate excited-state geometries: a CASPT2 and coupled-cluster reference database for small molecules / Šimon Budzák, Giovanni Scalmani, Denis Jacquemin

In Journal of Chemical Theory and Computation. -- Washington : The American Chemical Society, 2017. -- ISSN 1549-9618. -- ISSN 1549-9626. -- Vol. 13, no. 12 (2017), pp. 6237-6252