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Article Dans Une Revue Journal of Computational Chemistry Année : 2015

On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds

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hal-03511540 , version 1 (04-01-2022)

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Sergio Vela Llausi, Maria Fumanal, Jordi Ribas-Ariño, Vincent Robert. On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds. Journal of Computational Chemistry, 2015, 37 (10), pp.947-953. ⟨10.1002/jcc.24283⟩. ⟨hal-03511540⟩
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