Environment-dependent, optionally charge-conserving Coulomb terms grafted onto Moment Tensor Potentials recover LO–TO splitting and experimental dielectric constants for NaCl and improve dimer binding curves.
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Long-range machine-learning potentials with environment-dependent charges enable predicting LO-TO splitting and dielectric constants
Environment-dependent, optionally charge-conserving Coulomb terms grafted onto Moment Tensor Potentials recover LO–TO splitting and experimental dielectric constants for NaCl and improve dimer binding curves.