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Showing 1 to 3 of 3 for “"Coupled Cluster Monte Carlo"”.
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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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Accelerating and Converging Stochastic Quantum Chemistry
… versions of quantum chemistry methods such as coupled cluster Monte Carlo (CCMC) or full configuration interaction quantum Monte Carlo (FCIQMC) have made highly accurate energy calculations possible that are not accessible to the corresponding deterministic methods (full configuration …
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Stochastic Approaches to Coupled Cluster Theory
… of various new approaches to solving the Coupled Cluster (CC) equations through Monte Carlo (MC) integration. Firstly, exact importance sampling of the CC wavefunction to arbitrary order is defined and applied as a modification to the extant unlinked Coupled Cluster Monte Carlo (CCMC) …