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arXiv:cond-mat/0310699 · Physical Review A

Self-consistent fragmented excited states of trapped condensates

Lorenz S. Cederbaum, Alexej I. Streltsov

Published Aug 27, 2004• 26 citations
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Abstract

Self-consistent excited states of condensates are solutions of the Gross-Pitaevskii (GP) equation and have been amply discussed in the literature and related to experiments. By applying a recently introduced more general mean field which includes the GP one as a special case, we find a new class of self-consistent excited states. In these states macroscopic numbers of bosons reside in different one-particle functions, i.e., the states are fragmented. Still, a single chemical potential is associated with the condensate. A numerical example is presented, illustrating that the energies of the new, fragmented states are much lower than those of the GP excited states, and that they are stable to variations of the particle number and shape of the trap potential.

DOI
10.1103/physreva.70.023610

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Self-consistent excited states of condensates are solutions of the Gross-Pitaevskii (GP) equation and have been amply discussed in the literature and related to experiments. By applying a recently introduced more general mean field which includes the GP one as a special case, we find a new class of self-consistent excited states. In these states macroscopic numbers of bosons reside in different one-particle functions, i.e., the states are fragmented. Still, a single chemical potential is associated with the condensate. A numerical example is presented, illustrating that the energies of the new, fragmented states are much lower than those of the GP excited states, and that they are stable to variations of the particle number and shape of the trap potential.
Repulsive Bose-Einstein condensates immersed into a double-well trap potential are studied within the framework of the recently introduced mean-field approach which allows for bosons to reside in several different orthonormal orbitals. In the case of a one-orbital mean-field theory (Gross-Pitaevskii) the ground state of the system reveals a bifurcation scenario at some critical values of the interparticle interaction and/or the number of particles. At about the same values of the parameters the two-orbital mean field predicts that the system becomes twofold fragmented. By applying the three-orbital mean field we verify numerically that for the double-well external potential studied here the overall best mean field is achieved with two orbitals. The variational principle minimizes the energy at a vanishing population of the third orbital. To discuss the energies needed to remove a boson from and the energies gained by adding a boson to the condensate, we introduce boson ionization potentials and boson affinities and relate them to the chemical potentials. The impact of the finite number of bosons in the condensate on these quantities is analyzed. We recall that within the framework of the multiorbital mean-field theory each fragment is characterized by its own chemical potential. Finally, the stability of fragmented states is discussed in terms of the boson transfer energy which is the energy needed to transfer a boson from one fragment to another.
Fragmentation of a two-boson system in an external potential with contact interaction (i.e., $\ensuremath{\delta}$-function interaction) is studied using a full variational treatment. The results are compared to those obtained by the standard mean-field method (Gross-Pitaevskii equation) and the more recently developed best mean-field method. The numerically exact calculations show a transition to fragmentation as a function of the boson-boson interaction strength. The Gross-Pitaevskii solution cannot describe fragmentation. The respective energy exhibits a bifurcation which can be viewed as a hint that fragmentation may take place in reality. The best mean-field approach, on the other hand, can predict the fragmentation of the system and give the correct physical description of the fragmented state. The Gross-Pitaevskii energy diverges as the boson-boson interaction goes to infinity, while the exact and the best mean-field energies saturate.
Linear response of simple (i.e., condensed) Bose-Einstein condensates is known to lead to the Bogoliubov--de Gennes equations. Here, we derive linear response for fragmented Bose-Einstein condensates, i.e., for the case where the many-body wave function is not a product of one, but of several single-particle states (orbitals). This gives one access to excitation spectra and response amplitudes of systems beyond the Gross-Pitaevskii description. Our approach is based on the number-conserving variational time-dependent mean-field theory [Alon, Streltsov, and Cederbaum, Phys. Lett. A 362, 453 (2007)], which describes the time evolution of best-mean-field states. Correspondingly, we call our linear-response theory for fragmented states LR-BMF. In the derivation it follows naturally that excitations are orthogonal to the ground-state orbitals. As applications excitation spectra of Bose-Einstein condensates in double-well potentials are calculated. Both symmetric and asymmetric double wells are studied for several interaction strengths and barrier heights. The cases of condensed and twofold fragmented ground states are compared. Interestingly, even in such situations where the response frequencies of the two cases are computed to be close to each other, which is the situation for the excitations well below the barrier, striking differences in the density response in momentum space are found. For excitations with an energy of the order of the barrier height, both the energies and the density response of condensed and fragmented systems are very different. In fragmented systems there is a class of ``swapped'' excitations where an atom is transferred to the neighboring well. The mechanism of its origin is discussed. In asymmetric wells, the response of a fragmented system is purely local (i.e., finite in either one or the other well) with different frequencies for the left and right fragments. This finding is in stark contrast to that for condensed systems.
We have constructed the equation of state of one-dimensional Gross-Pitaevskii equation by benefiting from the formulation of a single macroscopic particle partition function and then modeling N undistinguishable macroscopic particles in canonical ensemble. This macroscopic particle, in which two or more atoms include, is literally a condensate that can be observed as an assembly in the system. In this case, we suppose all condensates are confined in the anisotropic parabolic trap and interaction between two condensates can be ignored by applying semi infinite cigar-shaped trap. It is also shown that the equation of state is indeed an ideal gas with the new thermodynamic interpretation of volume and pressure. Moreover, Even though our resulting partition function was portrayed as a sum of exponential functions, we prove that the series is indeed convergent.
Recently it has been predicted that if a gas of spin-1/2 bosonic atoms is cooled down while conserving its total spin, it can form a Bose-Einstein condensate in a new type of fragmented state. In that fragmented state two orbital wave functions are macroscopically occupied. We derive a set of Gross-Pitaevskii equations that describe the two occupied wave functions, taking into account the effects of interatomic interactions. We then analyze the solutions of those equations in some special cases. In particular, we find that if the fragmented state is realized in a toroidal trap, under certain conditions the system will spontaneously acquire macroscopic orbital angular momentum. Finally, we discuss the nature of the phase transition from an uncondensed gas to a fragmented-state condensate.
The mean-field properties of trapped, two-dimensional interacting Bose gases of finite size are surveyed numerically. The coupled nonlinear equations of the Gross-Pitaevskii (GP) equation and the Hartree-Fock equation for the condensate and the thermal component, respectively, are calculated by the hybrid method, in which the GP equation and the low-lying excitations less than cut-off energy are calculated quantum mechanically using the basis representation, while the high-lying states are obtained within the local density approximation. Consistent solutions are obtained for the whole range of temperatures including the critical temperature by determining the thermodynamic chemical potential µ from the condition that the total atomic number must be the desired value, instead of identifying µ with the eigenvalue of the GP equation. Comparisons with the results of the semiclassical two-fluid model are presented.