State-Specific Brillouin−Wigner Multireference Coupled Cluster Study of the Singlet−Triplet Separation in the Tetramethyleneethane Diradical

American Chemical Society (ACS) - Tập 105 Số 8 - Trang 1354-1356 - 2001
Jiřı́ Pittner1, Petr Nachtigall1, Petr Čárský1, Ivan Hubač2
1J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 18223 Prague 8, Czech Republic
2Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 84215 Bratislava, Slovakia

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