PSWF-LR applies prolate spheroidal wave functions to create compact, exponent-aware representations of 1/r^p interactions that cut Fourier requirements and triple simulation speed in MLIPs.
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Prolate spheroidal wave functions enable fast and exponent-aware long-range machine learning interatomic potentials
PSWF-LR applies prolate spheroidal wave functions to create compact, exponent-aware representations of 1/r^p interactions that cut Fourier requirements and triple simulation speed in MLIPs.