Chu Guo

Symmetry-Blocked Matrix Product States as a Neural-Network Quantum-State Ansatz for Quantum Chemistry.

This work introduces symmetry-blocked matrix product states (MPS) as neural-network quantum-state ansatzes, denoted QiankunNet-MPS, for ab initio quantum chemistry, explicitly enforcing the U(1) ⊗ U(1) particle-number symmetry of electronic Hamiltonians to eliminate unphysical configurations and reduce the number of va...