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Multireference configuration interaction

In quantum chemistry, the multireference configuration interaction (MRCI) method consists of a configuration interaction expansion of the eigenstates of the electronic molecular Hamiltonian in a set of Slater determinants which correspond to excitations of the ground state electronic configuration but also of some excited states. The Slater determinants…

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Multireference configuration interaction

Nodes19
Edges18
Triples0
Avg. degree1.89
Density0.105263
Components1

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configuration mrci references excitations state excited method ground one also determinants states reference configurations energy taking interaction correlation slater called

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