Quantum Monte Carlo algorithms in Fock space have gained popularity in the last few years. Here we review the Configuration Interaction Monte Carlo (CIMC) algorithm. CIMC provides a way to implement the imaginary time propagation projecting the ground state of a given Hamiltonian in a model Hilbert space that (1) makes use of an importance function, and in particular of the wave function computed in a Coupled Cluster calculation, and (2) exploits a continuous time algorithm to eliminate the approximations due to the use of a finite imaginary time step. Some results and discussions from the implementation in the three-dimensional electron gas and first row atoms are also presented. © 2016 Elsevier Inc.

Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions / Roggero, A.; Mori, P.; Mukherjee, A.; Pederiva, F.. - 73:(2016), pp. 315-332. [10.1016/bs.aiq.2015.09.003]

Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions

Roggero A.;Pederiva F.
2016-01-01

Abstract

Quantum Monte Carlo algorithms in Fock space have gained popularity in the last few years. Here we review the Configuration Interaction Monte Carlo (CIMC) algorithm. CIMC provides a way to implement the imaginary time propagation projecting the ground state of a given Hamiltonian in a model Hilbert space that (1) makes use of an importance function, and in particular of the wave function computed in a Coupled Cluster calculation, and (2) exploits a continuous time algorithm to eliminate the approximations due to the use of a finite imaginary time step. Some results and discussions from the implementation in the three-dimensional electron gas and first row atoms are also presented. © 2016 Elsevier Inc.
2016
Advances in Quantum Chemistry
525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA
Academic Press Inc.
9780128030608
Roggero, A.; Mori, P.; Mukherjee, A.; Pederiva, F.
Configuration Interaction Monte Carlo with Coupled Clusters Wave Functions / Roggero, A.; Mori, P.; Mukherjee, A.; Pederiva, F.. - 73:(2016), pp. 315-332. [10.1016/bs.aiq.2015.09.003]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/335205
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