Finite-temperature calculations of correlated electron systems
โ Scribed by Shiwei Zhang
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 91 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0010-4655
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โฆ Synopsis
We describe a quantum Monte Carlo approach to study finite-temperature properties of correlated fermion systems. The algorithm retains advantages of the standard auxiliary-field formalism, which is widely applied in areas spanning condensedmatter, high-energy, and nuclear physics, while eliminating the sign decay that is the signature of the fermion sign problem. It allows simulations at larger system sizes and lower temperatures. The sign decay is eliminated by imposition of an approximate boundary condition in auxiliary-field space. We discuss the analytical origin of the boundary condition and illustrate its implementation by highlighting the similarities to a diffusion process with absorption.
๐ SIMILAR VOLUMES
Explicitly correlated Gaussian functions and nonlinear optimization techniques have been used to calculate Born-Oppenheimer energies of the ground states of H~-and Hell รท ions and several excited states of the hydrogen molecule at equilibrium nuclear configurations. In all the cases the results are