The many-boson system with repulsive interactions is treated by a variational method based on a variational trial state of an exponential pair-excitation type obtained by a generalization of that of Bogoliubov; the treatment is closely related to an intermediate-coupling approximation with respect to pairs. The nonlinear integral equation which determines the variational ground state is derived, and various properties of this ground state and the associated excited states are examined. The resultant low-lying spectrum lies below that of Bogoliubov by an amount proportional to the total number of particles. The variational principle is shown to produce rigorous energy eigenvalue differences for the pair part of the Hamiltonian. The variational states, however, still exhibit unphysical features characteristic of pair-excitation states: The pair correlation function does not go to zero at zero particle separation and the phonon spectrum exhibits a gap above the ground state. It is suggested that these features can be removed by using states which take into account excitation of momentum-conserving groups of more than two particles.
This work is concerned with a microscopic model of a nonideal boson gas. The Hamiltonian is treated in a rigorous manner free of all approximations and, in particular, the Bogoliubov approximation of replacing the zero-momentum single-particle creation and destruction operators by a
c number is entirely avoided. Utilizing a method due to Wentzel, the Hamiltonian is replaced by one involving products of two second quantized operators which, in general, can be diagonalized. This replacement is shown to be rigorously valid in the infinite volume limit for all temperatures despite the avoidance of the Bogoliubov approximation. It is found that the assumption of a positive-definite quasiparticle excitation spectrum $\ensuremath{\epsilon}(\mathrm{k})$ becomes untenable for temperatures
T less than a critical value
Tc, if the interparticle potential is described by a certain kernel which possesses positive eigenvalues only, corresponding to a sufficiently repulsive interparticle force. Assuming that $\ensuremath{\epsilon}(\mathrm{k})=0$ only for k=0, it is found that for
T<Tc the system undergoes an Einstein condensation into the k=0 single-particle state, and the integral equations characterizing the system are precisely the same as would be obtained if the Bogoliubov approximation were made, proving within the framework of this model the strict validity of this approximation procedure. The well-known criterion for an Einstein condensation
v(0)>0, where
v(k) is the Fourier transform of the interparticle potential, is shown to be a weaker statement of our eigenvalue criterion. Further, in agreement with Girardeau and Arnowitt, it is found that an energy gap separates $\ensuremath{\epsilon}(0)$ and $\ensuremath{\epsilon}(\mathrm{k})$ for
k>0. An approximation method is developed for solving the integral equations which describe those systems which undergo an Einstein condensation, and it is shown that this method can be justified if $|T\ensuremath{-}{T}_{c}|\ensuremath{\lesssim}\frac{{T}_{c}}{10}$, and in cases of short-range repulsive interparticle forces and systems for which $\ensuremath{\rho}v(0)$ possesses a certain prescribed upper bound, $\ensuremath{\rho}$ being the number of particles per unit volume. The transition temperature is found to be lower than the corresponding quantity for the ideal boson gas of the same density. A detailed discussion of the thermal properties of the system in the vicinity of
Tc is also given. In an Appendix a general type of smeared Einstein condensation is assumed, and it is found that for systems in which this property occurs $\ensuremath{\epsilon}(\mathrm{k})$ is linear for small
k. This ansatz is shown to be tenable only if
v(0)<0. Finally, by assuming an appropriate pseudopotential representation of a hard repulsive core and by including a weak, longranged attractive force between particles, $\ensuremath{\epsilon}(\mathrm{k})$ shows a nonmonotonic behavior of the same qualitative type as observed in liquid
He4.
A variational method for studying the ground state of strongly interacting quantum many-body bosonic systems is presented. Our approach constructs a class of extensive variational non-Gaussian wave functions which extend Gaussian states by means of nonlinear canonical transformations (NLCTs) on the fields of the theory under consideration. We illustrate this method with the one-dimensional Bose-Hubbard model for which the proposal presented here provides a family of approximate ground states at arbitrarily large values of the interaction strength. We find that, for different values of the interaction, the non-Gaussian NLCT-trial states sensibly improve the ground-state energy estimation when the system is in the Mott phase.
We study a physically motivated model for a trapped dilute gas of Bosons with repulsive pairwise atomic interactions at zero temperature. Our goal is to describe aspects of the excited many-body quantum states of this system by accounting for the scattering of atoms in pairs from the macroscopic state. We start with an approximate many-body Hamiltonian, H a p p \mathcal {H}_{\mathrm {app}} , in the Bosonic Fock space. This H a p p \mathcal {H}_{\mathrm {app}} conserves the total number of atoms. Inspired by Wu [J. Math. Phys. 2 (1961), 105–123], we apply a non-unitary transformation to H a p p \mathcal {H}_{\mathrm {app}} . Key in this procedure is the pair-excitation kernel, which obeys a nonlinear integro-partial differential equation. In the stationary case, we develop an existence theory for solutions to this equation by a variational principle. We connect this theory to a system of partial differential equations for one-particle excitation (“quasiparticle”-) wave functions derived by Fetter [Ann. Phys. 70 (1972), 67–101], and prove existence of solutions for this system. These wave functions solve an eigenvalue problem for a J J -self-adjoint operator. From the non-Hermitian Hamiltonian, we derive a one-particle nonlocal equation for low-lying excitations, describe its solutions, and recover Fetter’s energy spectrum. We also analytically provide an explicit construction of the excited eigenstates of the reduced Hamiltonian in the N N -particle sector of Fock space.
Creation and annihilation operators of quasi-particles are introduced into the description of a finite temperature system of degenerate bosons with the aid of a canonical transformation which generalizes the one due to Bogoliubov. A variational calculation taking into account the interaction between non-zero momentum particles shows that the quasi-particles are phonons in the long wave-length limit. The state of the system, which is approximated by the grand canonical ensemble of the quasi-particles, approaches the Hartree-Fock state when the condensate is depleted completely at the critical temperature.
Quantum Averages and Statistical Samplings In this chapter, we discuss the general framework in which the variational Monte Carlo methods are defined and few important implementations for interacting systems of bosons and fermions on the lattice. The main advantage of considering this approach relies on the variational principle that has been shown in section 1.4: the energy of a given quantum state is always bounded from below by the exact ground-state one, giving us the route to obtain the best possible solution to the problem. In most cases, a suitable parametrization of the variational wave function allows us to consider a wide range of different quantum phases (e.g., metals, superconductors, and insulators). By performing an optimization of the parameters, we can reach the lowest-energy state, which is expected to capture the correct ground-state behavior. Therefore, variational wave functions represent a flexible and valuable approach to get important insights into the low-energy properties of models that cannot be solved by exact methods. By contrast, the main limitation of this approach is the fact that it is based on a given Ansatz , which may contain a relevant bias that cannot be removed within the chosen parametrization. We also mention that variational wave functions can be easily defined and treated for a wide class of models, irrespective of the range of interactions and the dimension of the local (i.e., single-site) Hilbert space, which can be even infinite and does not need the use of an uncontrolled cutoff to work with a finite-dimensional space. In this respect, variational Monte Carlo is better than other methods, like densitymatrix renormalization group or tensor-network methods in which the complexity dramatically increases with both the range of the interaction and the dimension of the local Hilbert space (White, 1992; Schollwöck, 2005, 2011). Let us start by describing the general framework in which variational Monte Carlo methods are defined. First of all, we fix a complete basis set in the Hilbert space, in which (for simplicity) the states are taken to be orthogonal and normalized such that: Then, any quantum state can be written as: In turn, the expectation value of an operator over a given variational wave function takes the following form: The main problem in evaluating the expectation value is that the number of configurations in the sum is exponentially large with the number of particles.