most citedReference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry

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physics.chem-ph2018

Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model

Roberto Cammi, Bo Chen, Martin Rahm

We show that the pressure acting on atoms and molecular systems within the compression cavity of the eXtreme-Pressure Polarizable Continuum method can be expressed in terms of the…