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physics.chem-ph2025
Coupled cluster method tailored by quantum selected configuration interaction
Luca Erhart, Yuichiro Yoshida, Wataru Mizukami
We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory wit…
physics.chem-ph2025
Auxiliary-field quantum Monte Carlo method with seniority-zero trial wave function
Yuichiro Yoshida, Luca Erhart, Takuma Murokoshi +4
We present an approach that uses the doubly occupied configuration interaction (DOCI) wave function as the trial wave function in phaseless auxiliary-field quantum Monte Carlo (ph-…