Neural quantum states plus the kernel polynomial method yield ab initio absorption spectra for molecules up to 52 electrons, matching FCI where an exact comparison is possible.
Methods in Enzymologyvol 5002011(2000)
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Scalable Neural Quantum State based Kernel Polynomial Method for Optical Properties from the First Principle
Neural quantum states plus the kernel polynomial method yield ab initio absorption spectra for molecules up to 52 electrons, matching FCI where an exact comparison is possible.