Feb. 13, 2024, 5:45 a.m. | David Pfau Simon Axelrod Halvard Sutterud Ingrid von Glehn James S. Spencer

cs.LG updates on arXiv.org arxiv.org

We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states. The method has no free parameters and requires no explicit orthogonalization of the different states, instead transforming the problem of finding excited states of a given system into that of finding the ground state of an expanded system. Expected values of arbitrary observables can be calculated, including off-diagonal expectations between different states …

algorithm computation cs.lg free natural parameters physics.chem-ph physics.comp-ph quant-ph quantum

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