Four-Reference State-Specific Brillouin-Wigner Coupled- Cluster Method: Study of the IBr Molecule
نویسندگان
چکیده
We implemented the state-specific Brillouin–Wigner coupled-cluster method for the complete model space spanned by four reference configurations generated by two electrons in two active orbitals. We applied the method (together with the previously suggested a posteriori size-extensivity correction) to the calculation of spectroscopic constants of the IBr molecule, using averaged relativistic effective core potential.
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