Definition of Multireference. Meaning of Multireference. Synonyms of Multireference

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Definition of Multireference

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Meaning of Multireference from wikipedia

- In quantum chemistry, the multireference configuration interaction (MRCI) method consists of a configuration interaction expansion of the eigenstates of...
- now standard works in the field. These methods, collectively called multireference coupled cluster formalisms, are versatile and powerful methods for predicting...
- mort par Jacques Louis-David : saint Sébastien révolutionnaire, miroir multiréférencé de Rome, Brussels (2005), available at the KBR, Brussels. Sainte-Fare...
- density functional theory, many-body perturbation, coupled cluster, and multireference methods. ORCA provides an easy-to-learn input structure and thus high...
- from which all singly, doubly, ... excited determinants are included (multireference configuration interaction). MRCI also gives better correlation of the...
- perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI-type wavefunctions. It can be considered as a generalization of...
- provided geometry optimization for multireference cases. By the same year, the first internally contracted multireference configuration interaction (IC-MRCI)...
- finite-size space of determinants. The resulting wavefunction is of multireference nature, and is blessed by additional properties if compared to other...
- varied). MCSCF wave functions are often used as reference states for multireference configuration interaction (MRCI) or multi-reference perturbation theories...
- Complete active space perturbation theory (CASPTn) is a multireference electron correlation method for com****tional investigation of molecular systems...