Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicals
2015 ◽
Vol 17
(19)
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pp. 12521-12529
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Keyword(s):
The treatment of biradical chemistry presents a challenge for electronic structure theory, especially single-reference methods, as it requires the description of varying degrees and kinds of electron correlation.
2010 ◽
Vol 132
(3)
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pp. 034110
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Keyword(s):
2004 ◽
Vol 120
(5)
◽
pp. 2095-2104
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2006 ◽
Vol 125
(17)
◽
pp. 174105
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2013 ◽
Vol 138
(24)
◽
pp. 244102
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Keyword(s):
2012 ◽
Vol 137
(3)
◽
pp. 034107
◽
Keyword(s):
2019 ◽
Vol 151
(15)
◽
pp. 154104
◽
Keyword(s):
Keyword(s):
1998 ◽
Vol 58
(19)
◽
pp. 12704-12711
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