Rubrene untwisted: common density functional theory calculations overestimate its deviant tendencies
Keyword(s):
Delocalization error in common density functionals artificially stabilizes twisted rubrene, which can lead to incorrect predictions of solid state structures.
1998 ◽
Vol 102
(38)
◽
pp. 7435-7441
◽
2016 ◽
Vol 26
(6)
◽
pp. 1413-1420
◽
Keyword(s):
2012 ◽
Vol 116
(25)
◽
pp. 6927-6934
◽
2019 ◽
Vol 126
◽
pp. 93-104
◽
1995 ◽
Vol 357
(3)
◽
pp. 225-235
◽