articleTop 10% cited
The multi-state CASPT2 method
Chemical Physics Letters · 1998 · Vol. 288(2-4) · pp. 299–306
James P. Finley✉(Swedish e-Science Research Centre)Per‐Åke Malmqvist(Swedish e-Science Research Centre)Björn O. Roos(Swedish e-Science Research Centre)Luis Serrano‐Andrés(Universitat de València)
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMass Spectrometry Techniques and ApplicationsRydberg formulaValence (chemistry)Hamiltonian (control theory)Ionic bondingPerturbation (astronomy)Atomic physicsChemistryPhysicsQuantum mechanicsIon
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References
Second-order perturbation theory with a CASSCF reference function
The Journal of Physical Chemistry · 1990 · 3,301 citations
A simple method for the evaluation of the second-order-perturbation energy from external double-excitations with a CASSCF reference wavefunction
Chemical Physics · 1982 · 294 citations
Second-order perturbation theory with a complete active space self-consistent field reference function
The Journal of Chemical Physics · 1992 · 3,836 citations
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