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A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)

Chemical Physics Letters · 2004 · Vol. 396(1-3) · pp. 142–149
Advanced Chemical Physics StudiesMolecular Spectroscopy and StructureSpectroscopy and Quantum Chemical StudiesDiatomic moleculeZeroth law of thermodynamicsExcited stateHamiltonian (control theory)ExcitationPerturbation theory (quantum mechanics)Atomic physicsDissociation (chemistry)PhysicsOpen shell
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References
Second-order perturbation theory with a CASSCF reference function
The Journal of Physical Chemistry · 1990 · 3,301 citations
Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set
The Journal of Physical Chemistry A · 2003 · 1,494 citations
Handbook of chemistry and physics
Journal of the Franklin Institute · 1930 · 11,732 citations
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