High-order path-integral Monte Carlo methods for solving quantum dot problems
Siu A. Chin
Abstract
Open-access reader
Siu A. Chin
Abstract
Open-access reader
The conventional second-order path-integral Monte Carlo method is plagued with the sign problem in solving many-fermion systems. This is due to the large number of antisymmetric free-fermion propagators that are needed to extract the ground state wave function at large imaginary time. In this work we show that optimized fourth-order path-integral Monte Carlo methods, which use no more than five free-fermion propagators, can yield accurate quantum dot energies for up to 20 polarized electrons with the use of the Hamiltonian energy estimator.
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The conventional second-order path-integral Monte Carlo method is plagued with the sign problem in solving many-fermion systems. This is due to the large number of antisymmetric free-fermion propagators that are needed to extract the ground state wave function at large imaginary time. In this work we show that optimized fourth-order path-integral Monte Carlo methods, which use no more than five free-fermion propagators, can yield accurate quantum dot energies for up to 20 polarized electrons with the use of the Hamiltonian energy estimator.
Key concepts: Path integral Monte Carlo, Path integral formulation, Quantum Monte Carlo, Propagator, Monte Carlo method, Hybrid Monte Carlo, Physics, Monte Carlo molecular modeling