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cond-mat.str-el2024
Enhanced Krylov Methods for Molecular Hamiltonians: Reduced Memory Cost and Complexity Scaling via Tensor Hypercontraction
Yu Wang, Maxine Luo, Matthias Reumann +1
We introduce an algorithm that is simultaneously memory-efficient and low-scaling for applying ab initio molecular Hamiltonians to matrix-product states (MPS) via the tensor-hyperc…
quant-ph2024
Efficient simulation of quantum chemistry problems in an enlarged basis set
Maxine Luo, J. Ignacio Cirac
We propose a quantum algorithm to simulate the dynamics in quantum chemistry problems. It is based on adding fresh qubits at each Trotter step, which enables a simpler implementati…