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 from which the excitations are performed are called reference determinants. The higher excited determinants (also called configuration state functions (CSFs) or shortly configurations) are then chosen either by the program according to some perturbation theoretical ansatz according to a threshold provided by the user or simply by truncating excitations from these references to singly, doubly, ... excitations resulting in MRCIS, MRCISD, etc.
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Ab initio quantum chemistry methodsCOLUMBUSComplete active spaceComplete active space perturbation theoryConfiguration interactionElectronic correlationFull configuration interactionHans LischkaList of quantum chemistry and solid-state physics softwareMOLCASMOLPROMRCIMRDCIMixed quantum-classical dynamicsMulti-configurational self-consistent fieldMultireference single and double configuration interactionN-electron valence state perturbation theoryNewton-XPSI (computational chemistry)Post–Hartree–FockSigrid D. PeyerimhoffTimeline of atomic and subatomic physicsVibronic couplingWalter Thiel (chemist)
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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 from which the excitations are performed are called reference determinants. The higher excited determinants (also called configuration state functions (CSFs) or shortly configurations) are then chosen either by the program according to some perturbation theoretical ansatz according to a threshold provided by the user or simply by truncating excitations from these references to singly, doubly, ... excitations resulting in MRCIS, MRCISD, etc.
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In chimica quantistica col ter ...... iguration Interaction (MRDCI).
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In quantum chemistry, the mult ...... loped by Walter Thiel's group.
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La méthode d'interaction de co ...... par un calcul MCSCF préalable.
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多参考组态相互作用方法（multireference con ...... CI 或 MRCI 计算结果中贡献较大的行列式作为参考态）。
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量子化学において、多参照配置間相互作用法 （たさんしょうはい ...... Thiel らが開発した OM2/MRCI法が挙げられる。
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In chimica quantistica col ter ...... glia stabilita dall'operatore.
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In quantum chemistry, the mult ...... sulting in MRCIS, MRCISD, etc.
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La méthode d'interaction de co ...... à une méthode MRCIS ou MRCISD.
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多参考组态相互作用方法（multireference con ...... 其中一个电子组态引入到参考空间中，仍然无法得到准确的激发能。
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量子化学において、多参照配置間相互作用法 （たさんしょうはい ...... 計算で重要であることが判っている配置を参照に取り込む）ある。
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Interaction de configuration multi-référence
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Multireference configuration interaction
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Multireference configuration interaction
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多参照配置間相互作用法
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多参考组态相互作用方法
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