Browsing Chemistry by Subject "Zero point energy"
Now showing items 1-2 of 2
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Ground states of linear rotor chains via the density matrix renormalization group
(American Institute of Physics, 2018-04-04)In recent years, experimental techniques have enabled the creation of ultracold optical lattices of molecules and endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting ... -
Quantifying entanglement of rotor chains using basis truncation: Application to dipolar endofullerene peapods
(American Institute of Physics, 2018-02-21)We propose a variational approach for the calculation of the quantum entanglement entropy of assemblies of rotating dipolar molecules. A basis truncation scheme based on the total angular momentum quantum number is proposed. ...