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cond-mat.str-el2022
Correlated reference-assisted variational quantum eigensolver
Nhan Trong Le, Lan Nguyen Tran
We propose an active-space approximation to reduce the quantum resources required for variational quantum eigensolver (VQE). Starting from the double exponential unitary coupled-cl…
physics.chem-ph2022
Can second-order perturbation theory accurately predict electron density of open-shell molecules? The importance of self-consistency
Lan Nguyen Tran
Electron density distribution plays an essential role in predicting molecular properties. It is also a simple observable from which machine-learning models for molecular electronic…