By combining conventional finite-temperature many-body perturbation theory with cluster expansions, we develop a systematic method to carry out high order arbitrary temperature perturbative calculations on a computer. The method is well suited to studying the thermodynamic properties of quantum disordered and quantum critical phases at finite temperatures. As an application, we calculate the magnetic susceptibility, internal energy, and specific heat of the bilayer Heisenberg model. It is shown that for a wide range of coupling constants these expansions show excellent convergence at all temperatures. Comparing the direct series (without extrapolations) for the bulk susceptibility to quantum Monte Carlo simulations we find an almost perfect agreement between the two methods even at the quantum critical coupling separating the dimerized and antiferromagnetic phases. The convergence fails only at very low temperatures, which are also difficult to reach by quantum Monte Carlo simulations.
The mean-field approximation of the critical behavior of the antiferromagnetic Ising model in a magnetic field shows that the critical field increases first at low temperature. However, the exact solution of a decorated square lattice proves that the critical field rapidly decreases with increasing temperature for the two-dimensional lattice. Three-dimensional lattices of this model have been studied as well using the high temperature expansion, low temperature expansion, and Monte Carlo simulation. The results are different. In this article we have investigated the critical field of the body centered cubic lattice of this model using the linked-cluster expansion technique. An eighth-order perturbation series for the free energy has been calculated. The magnetization and staggered magnetic susceptibility series have been calculated from the free energy. These series have been analyzed using Padé approximants to obtain the phase diagram in the field-temperature plane. A comparison is made with Monte Carlo simulation calculations.
High-order perturbative
ab initio calculations are challenging due to the rapidly growing configuration space and the difficulty of assessing convergence. In this letter, we introduce perturbation theory quantum Monte Carlo (PTQMC), a stochastic approach designed to compute high-order many-body perturbative corrections. By representing the perturbative wave function with random walkers in configuration space, PTQMC avoids the exponential scaling inherent to conventional constructions of high-rank excitation operators. Benchmark calculations for the Richardson pairing model demonstrate that PTQMC accurately reproduces exact many-body perturbation theory (MBPT) coefficients up to 16th order, even in strongly divergent regimes. We further show that combining PTQMC with series resummation techniques yields stable and precise energy estimates in cases where the straightforward perturbative series fails. Finally, we propose the effective number of configurations,
eS, as a global measure of perturbative wave-function complexity that can be directly extracted within PTQMC. We demonstrate that the saturation behavior of
eS provides a more reliable indicator of the validity of perturbative expansions than energy convergence alone.