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Pittner, Jiří, Demel, Ondřej, Čársky, Petr, Hubač, Ivan (2001) Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule. International Journal of Molecular Sciences, 2. 281-290 doi:10.3390/i2060281

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Reference TypeJournal (article/letter/editorial)
TitleFour-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule
JournalInternational Journal of Molecular Sciences
AuthorsPittner, JiříAuthor
Demel, OndřejAuthor
Čársky, PetrAuthor
Hubač, IvanAuthor
Year2001 (December 19)Volume2
PublisherMDPI AG
DOIdoi:10.3390/i2060281Search in ResearchGate
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Mindat Ref. ID10054525Long-form Identifiermindat:1:5:10054525:2
GUID0
Full ReferencePittner, Jiří, Demel, Ondřej, Čársky, Petr, Hubač, Ivan (2001) Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule. International Journal of Molecular Sciences, 2. 281-290 doi:10.3390/i2060281
Plain TextPittner, Jiří, Demel, Ondřej, Čársky, Petr, Hubač, Ivan (2001) Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule. International Journal of Molecular Sciences, 2. 281-290 doi:10.3390/i2060281
In(n.d.) International Journal of Molecular Sciences Vol. 2. MDPI AG

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Pittner, Jiřı́, Šmydke, Jan, Čársky, Petr, Hubač, Ivan (2001) State-specific Brillouin–Wigner multireference coupled cluster study of the F2 molecule: assessment of the a posteriori size-extensivity correction. Journal of Molecular Structure: THEOCHEM, 547. 239-244 doi:10.1016/s0166-1280(01)00473-0
Demel, Ondřej, Pittner, Jiří, Čársky, Petr, Hubač, Ivan (2004) Multireference Brillouin−Wigner Coupled Cluster Singles and Doubles Study of the Singlet−Triplet Separation in Alkylcarbenes†. The Journal of Physical Chemistry A, 108 (15). 3125-3128 doi:10.1021/jp037135m
Hubač, Ivan, Pittner, Jiřı́, Čársky, Petr (2000) Size-extensivity correction for the state-specific multireference Brillouin–Wigner coupled-cluster theory. The Journal of Chemical Physics, 112 (20). 8779-8784 doi:10.1063/1.481493
Pittner, Jiří, Nachtigall, Petr, Čársky, Petr, Hubač, Ivan (2001) State-Specific Brillouin−Wigner Multireference Coupled Cluster Study of the Singlet−Triplet Separation in the Tetramethyleneethane Diradical. The Journal of Physical Chemistry A, 105 (8). 1354-1356 doi:10.1021/jp0032199
Pittner, Jiřı́, Nachtigall, Petr, Čársky, Petr, Mášik, Jozef, Hubač, Ivan (1999) Assessment of the single-root multireference Brillouin–Wigner coupled- cluster method: Test calculations on CH2, SiH2, and twisted ethylene. The Journal of Chemical Physics, 110 (21). 10275-10282 doi:10.1063/1.478961
Sancho-Garcı́a, Juan Carlos, Pittner, Jiřı́, Čársky, Petr, Hubač, Ivan (2000) Multireference coupled-cluster calculations on the energy of activation in the automerization of cyclobutadiene: Assessment of the state-specific multireference Brillouin–Wigner theory. The Journal of Chemical Physics, 112 (20). 8785-8788 doi:10.1063/1.481494
Kerkines, Ioannis S. K., Pittner, Jiřı́, Čársky, Petr, Mavridis, Aristides, Hubač, Ivan (2002) On the ground states of CaC and ZnC: A multireference Brillouin–Wigner coupled cluster study. The Journal of Chemical Physics, 117 (21). 9733-9739 doi:10.1063/1.1516809
Šimsa, Daniel, Demel, Ondřej, Bhaskaran-Nair, Kiran, Hubač, Ivan, Mach, Pavol, Pittner, Jiří (2012) Multireference coupled cluster study of the oxyallyl diradical. Chemical Physics, 401. 203-207 doi:10.1016/j.chemphys.2011.08.018
Demel, Ondřej, Pittner, Jiří (2006) Multireference Brillouin-Wigner coupled clusters method with noniterative perturbative connected triples. The Journal of Chemical Physics, 124 (14). 144112pp. doi:10.1063/1.2192508
Demel, Ondřej, Pittner, Jiří (2008) Multireference Brillouin–Wigner coupled cluster method with singles, doubles, and triples: Efficient implementation and comparison with approximate approaches. The Journal of Chemical Physics, 128 (10). 104108pp. doi:10.1063/1.2832865
Banik, Subrata, Ravichandran, Lalitha, Brabec, Jiří, Hubač, Ivan, Kowalski, Karol, Pittner, Jiří (2015) Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory. The Journal of Chemical Physics, 142 (11). 114106pp. doi:10.1063/1.4914311
 
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