The constrained nuclear–electronic orbital (CNEO) framework for nuclear quantum effects in quantum chemistry and molecular simulations

Zehua Chen, and Yang Yang. The Constrained nuclear–electronic Orbital (CNEO) Framework for Nuclear Quantum Effects in Quantum Chemistry and Molecular Simulations. Vol. 2, APL Computational Physics, 2026, p. 020902.

A comprehensive CNEO perspective summarizing past achievements and future directions

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