Complete Active Space Methods for NISQ Devices: The Importance of Canonical Orbital Optimization for Accuracy and Noise Resilience
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DOI: 10.1021/acs.jctc.3c00123
Abstract: To avoid the scaling of the number of qubits with the size of the basis set, one can divide the molecular space into active and inactive regions, which is also known as complete active space… read more here.
Keywords: active space; space; space methods; complete active ... See more keywords