https://www.selleckchem.com/products/LBH-589.html
The state-specific Brillouin-Wigner multireference perturbation theory [which employs Jeziorski-Monkhorst parametrization of the wave function] using improved virtual orbitals, denoted as IVO-BWMRPT, is applied to calculate excitation energies (EEs) for methylene, ethylene, trimethylenemethane, and benzyne systems exhibiting various degrees of diradical character. In IVO-BWMRPT, all of the parameters appearing in the wave function ansatz are optimized for a specific electronic state. For these systems, the IVO-BWMRPT method provides EEs
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