Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato)(NPh)

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Journal

Journal of Chemical Theory and Computation

Topics

Physics

Quantum Mechanics

Chemistry

Supramolecular Chemistry

Computational Chemistry

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DOI

10.1021/ct700263h