A Zero-Knowledge Proof for a 152-Bit Slater Determinant of FeMoco

Abstract

A Groth16 zero-knowledge proof is published certifying the existence of a 152-bit Slater-determinant occupation string for the standard FeMoco active-space Hamiltonian (113 electrons, 76 orbitals) whose Hamiltonian expectation value on the public LLDUC FCIDUMP [1] — evaluated in the fixed split-localised orbital basis of [1] without orbital optimisation — is −22053.164626725997 Ha. The string satisfies 58 alpha + 55 beta = 113 electrons and MS = 3/2, matching the active-space constraints of [1]. The proof is verifiable in under one second by any party in possession of the proof artifact and verification key, with no access to the FCIDUMP or the occupation string itself.