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Coupled cluster

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Coupled cluster

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Deterministic and Statistical Approaches to Quantum Chemistry

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Accurate molecular polarizabilities with coupled cluster theory and machine learning

Atomistic-continuum coupling of random alloys

Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

Transient fission matrix approach for assessing complex kinetics behavior in the ZEPHYR ZPR coupled core configurations

MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry

Deterministic and Statistical Approaches to Quantum Chemistry

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Atomistic-continuum coupling of random alloys

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies

Accurate molecular polarizabilities with coupled cluster theory and machine learning

Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

Transient fission matrix approach for assessing complex kinetics behavior in the ZEPHYR ZPR coupled core configurations

MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry