Expanded-ensemble Monte Carlo method with Wang-Landau algorithm was used for calculations of the ratio of partition functions for classes of permutations in the problem of several interacting quantum particles (fermions) in an external field. Simulations for systems consisting of 2 up to 7 interacting particles in harmonic or Coulombic field were performed. The presented approach allows one to carry out calculations for low enough temperatures that makes it possible to extract data for the ground-state energy and low-temperature thermodynamics.
Abstract The modeling of out-of-equilibrium many-body quantum systems requires to go beyond low-energy physics and single or few bodies densities of states. Many-body localization, presence or lack of thermalization and quantum chaos are examples of phenomena in which states at different energy scales, including highly excited ones, contribute to dynamics and therefore affect the system’s properties. Quantifying these contributions requires the many-body density of states (MBDoS), a function whose calculation becomes challenging even for non-interacting identical particles due to the difficulty to enumerate accessible states while enforcing the exchange symmetry. In the present work, we introduce a new approach to evaluate the MBDoS in the general case of non-interacting systems of identical quantum particles. The starting point of our method is the principal component analysis of a filling matrix F describing how N particles can be distributed into L single-particle energy levels. We show that the many body spectrum can be expanded as a weighted sum of singular vectors of the filling matrix. The weighting coefficients only involve renormalized energies obtained from the single body spectrum. We illustrate our method in two classes of problems that are mapped into spinless fermions : (i) non-interacting electrons in a homogeneous tight-binding model in 1D and 2D, and (ii) interacting spins in a chain under a transverse field.
It is shown from first principles that, in spite of the large interatomic forces, liquid 4 He should exhibit a transition analogous to the transition in an ideal Bose–Einstein gas. The exact partition function is written as an integral over trajectories, using the space-time approach to quantum mechanics. R.P. Feynman, 1953 Summary In this chapter we discuss imaginary-time path integrals and the path-integral Monte Carlo method for the calculation of properties of quantum systems at non-zero temperature. We discuss how Fermi and Bose statistics enter, and how to generalize the fixed-node procedure to non-zero temperature. We then discuss an auxiliary-field method for the Hubbard model. The path-integral method can be used to perform ground-state calculations, allowing calculations of properties with less bias than the projector Monte Carlo method. We also discuss the problem of estimating real-time response functions using information from imaginary-time correlation functions. In previous chapters we described two QMC methods, namely variational QMC and projector (diffusion) QMC. Both of these methods are zero temperature, or, more properly, are formulated for single states. In this chapter we discuss the path-integral Monte Carlo (PIMC) method, which is explicitly formulated at non-zero temperature. Directly including temperature is important because many, if not most, measurements and practical applications involve significant thermal effects. One might think that to do calculations at a non-zero temperature we would have to explicitly sum over excited states. Such a summation would be difficult to accomplish once the temperature is above the energy gap, because there are so many possible many-body excitations. In addition, the properties for each excitation are more difficult to calculate than those for the ground state. As we will see, path-integral methods do not require an explicit sum over excitations. As an added bonus, they provide an interesting and enlightening window through which to view quantum systems. However, the sign problem, introduced in the previous chapter, is still present for fermion systems. The fixed-node approximation is used again. An advantage of PIMC is the absence of a trial wavefunction. As a result, quantum expectation values, including ones not involving the energy, can be computed directly. For the expert, the lack of an importance function may seem a disadvantage; without it one cannot push the simulation in a preferred direction.