Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. I. Transformed reference via an intermediate configuration Kohn-Sham density-functional theory and applications to d1 and d2 systems with octahedral and tetrahedral symmetries
2005 ◽
Vol 123
(14)
◽
pp. 144105
◽
2006 ◽
Vol 124
(14)
◽
pp. 144105
◽
2004 ◽
Vol 102
(23-24)
◽
pp. 2585-2595
◽
Keyword(s):
2009 ◽
Vol 914
(1-3)
◽
pp. 60-73
◽
Keyword(s):
2018 ◽
Vol 149
(7)
◽
pp. 074102
◽
Keyword(s):
1991 ◽
Vol 24
(22)
◽
pp. 4691-4694
◽
2006 ◽
Vol 05
(03)
◽
pp. 595-608
◽
Keyword(s):
1998 ◽
Vol 288
(5-6)
◽
pp. 593-602
◽
2017 ◽
Vol 19
(44)
◽
pp. 30089-30096
◽
Keyword(s):