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Showing 1 to 3 of 3 for “"Unitary Coupled Cluster"”.
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Novel Ansätze for Stochastic Coupled Cluster
… two new types of algorithms in the framework of Coupled Cluster Monte Carlo (CCMC). First, the CCMC paradigm is expanded to multireference coupled cluster (MRCC). The multireference CCMC (mr-CCMC) approach takes advantage of Monte Carlo methods’ ca- pacity to treat any cluster expansion with …
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Novel Quantum Chemistry Algorithms Based on the Variational Quantum Eigensolver
… equations similar to those of the linearized coupled cluster theory (LCCSD) but is more systematically improvable and, for X = 3 or X = ∞, can break single bonds, which LCCSD cannot do. The overall aim of this work is to showcase the richness of the VQE algorithm and the breadth of its …
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Quantum computational chemistry methods for early-stage quantum computers
… of a NISQ computer. The most widely used, unitary coupled cluster (UCC), type of ans\"atze mathematically correspond to a product of unitary evolutions of fermionic excitation operators. Owing to their fermionic structure, UCC ans\"atze preserve the symmetries of electronic wavefunctions, …