Jaguar

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Jaguar

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Jaguar

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Jaguar

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Jaguar

FEATURES

treatment of systems using the Hartree-Fock (RHF, UHF, ROHF) procedure and Density Functional Theory (LDA, gradient-corrected, and a number of hybrid functionals)

excited states using Configuration Interaction (CIS) after Hartree-Fock calculations

local second-order Møller-Plesset Perturbation Theory

Generalized Valence Bond perfect-pairing (GVB-PP) calcualtions

REFERENCES

EXTERNAL LINKS

Schrödinger Inc