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    TheoDORE

    TheoDORE

    Theoretical Density, Orbital Relaxation and Exciton analysis

    ...TheoDORE is interfaced to a number of quantum chemical programs (Q-Chem, Columbus, Turbomole, ...) and can be used for a wide range of excited state methods (MR-CI, ADC, CC, TDDFT). It is written in a modular fashion to allow for an easy extension of these capabilities. Code development moved to github: https://github.com/felixplasser/theodore-qc
    Downloads: 2 This Week
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