3.1. Position and Momentum Variances in an Out-of-Equilibrium Dynamics of a
Three-Dimensional Trapped Bose–Einstein Condensate
Consider
N structureless bosons trapped in a three-dimensional anisotropic harmonic potential and interacting by a general two-body interaction
. The frequencies of the trap satisfy, without loss of generality,
. We work with dimensionless quantities,
. Using Jacobi coordinates,
,
, where
are the coordinates in the laboratory frame, the Hamiltonian can be written as:
The ‘relative’ Hamiltonian
collects all terms depending on the relative coordinates
, and
. Suppose now that the bosons are prepared in the ground state of the non-interacting system. The ground-state is separable in the Jacoby coordinates and reads
, where the relation
connecting the laboratory and Jacoby coordinates is used. The solution of the time-dependent many-boson Schrödinger equation,
, where
is the initial condition, reads
. Consequently, because of the center-of-mass separability of the Hamiltonian
and of
, the position and momentum variances per particle of the time-dependent state
, for a general inter-particle interaction
, are those of the static, non-interacting system:
In other words, the anisotropies
of the position operator and
of the momentum operator, when computed at the many-body level of theory, hold for all times during the out-of-equilibrium dynamics, see the constant-value (dashed) curves in
Figure 1 and
Figure 2. We note that the variances per particle (
4) hold for any number of bosons due to the separability of the center-of-mass. However, only at the limit of an infinite number of particles the density per particle coincides within many-body and mean-field levels of theory and can thus be exactly computed from the Gross–Pitaevskii equation.
What happens at the Gross–Pitaevskii level of theory? Can the mean-field variances have different orderings than the many-body variances, i.e., belong to other anisotropy classes based on the
permutation group, see (
2b), than to
? If yes, then why and how? The Gross–Pitaevskii or non-linear Schrödinger equation is given by
, where
is the coupling constant and
the
s-wave scattering length of the above two-body interaction
. The initial condition, as above, is the ground state of the non-interacting system,
. The Gross–Pitaevskii equation does not maintain the center-of-mass separability of the initial condition because of its non-linear term, which, therefore, can lead to variations of the position and momentum variances when computed at the mean-field level of theory.
Figure 1 and
Figure 2 display the Gross–Pitaevskii dynamics of the position and momentum variances per particle, respectively, for four coupling constants,
, and
. To integrate the three-dimensional Gross–Pitaevskii equation we use a box of size
, a Fourier-discrete-variable-representation with
grid points and periodic boundary conditions, and the numerical implementation embedded in [
20]. The dynamics are computed for the four coupling constants
g and depicted by the oscillating (solid) curves in
Figure 1 and
Figure 2. The left columns are for a 10% anisotropy of the harmonic trap, i.e.,
,
, and
, and the right columns are for a 20% anisotropy of the harmonic trap, namely,
,
, and
. We remark that the expectation values per particle of the position (
) and momentum (
) operators computed at the mean-field and many-body levels of theory coincide at the limit of an infinite number of particles and are all equal to zero in the present scenario.
For the smallest coupling constant,
, we see that the mean-field variances oscillate with very small amplitudes around the respective constant values of the many-body variances. This means that the mean-field anisotropy of the position variance,
, and its many-body anisotropy,
, are alike. A similar situation is found for the momentum variance, namely, that the mean-field momentum anisotropy,
, and the many-body anisotropy,
, are the same. Consequently, we may conclude that for small coupling constants the anisotropy class of the position operator is
and, likewise, the anisotropy class of the momentum operator is
, see (2). In other words, the contribution of the correlations term in (
1) is marginal.
The situation becomes more interesting for the larger coupling constants,
, and
. We begin with the position variances,
Figure 1. The variances are found to oscillate prominently, with much larger amplitudes than for
, and, subsequently, to cross each other. There are three ingredients that enable and govern this crossing dynamics. The first, is that the amplitudes of oscillations of
,
, and
are slightly different already at short times, with the former being the larger and the latter being the smaller (more prominent for 20% than for 10% trap anisotropy). The second, is that the respective frequencies of oscillations are also slightly different at short times, with the former being the smaller and the latter being the larger. Both features correlate with the ordering of the frequencies of the trap,
. The third ingredient is that the three Cartesian components are coupled to each other during the dynamics, what impacts the oscillatory pattern at intermediate and later times (more prominent for 10% than for 20% trap anisotropy, see
Figure 1).
Combing the above, we find for the 10% trap anisotropy that around
takes place, around
holds (again), and around
occurs. In other words, the anisotropy class of the position variance starts as
for
, changes to
around
, is back to
around
, and becomes
around
. Furthermore, this pattern is found to be robust for different, increasing coupling constants, see
Figure 1. For 20% trap anisotropy we find a different crossing patten of the position variances. The anisotropy class begins as
for
, changes at around
to
, and immediately after, at around
, it is
. Now, around
there is a broad regime of anisotropy class
. Another difference of a geometrical origin between the dynamics in the 20% and 10% trap anisotropies can be seen for
, see
Figure 1c,d. Here, the coupling constant is sufficiently large to lead to crossing of all position variances for the 10% anisotropy trap, and, consequently, to the position anisotropy class
(at around
). On the other hand, for the 20% anisotropy trap the coupling constant is just short of allowing all position variances to cross each other and, clearly, the anisotropy class
cannot occur (as it happens at around
for the further larger coupling constants,
and 27). All in all, we have demonstrated in a rather common (out-of-equilibrium quench) scenario the emergence of anisotropy classes other than
, i.e.,
and
, for the position operator of a Bose–Einstein condensate at the infinite-particle-number limit. Hence, the correlations term in (
1) for the position variance becomes dominant in the dynamics.
The results for the momentum variances per particle, see
Figure 2, follow similar and corresponding trends as those for the position operator, albeit the crossings of the respective momentum curves take place during slightly narrower time windows than for the position operator for the parameters used. Thus, for the 10% trap anisotropy we have
around
,
in the vicinity of
, and
around
. Therefore, the anisotropy class of the momentum variance starts at
for
, turns to
around
, returns to
for a wider time window around
, and changes to
around
. For the 20% trap anisotropy we find, starting from the anisotropy class
for
, the class
at around
, the class
at around
, again the class
at around
, and once more the class
at around
. As for the position variance, we find the pattern to be robust for different, increasing coupling constants, see
Figure 2. Furthermore, the above-discussed difference of a geometrical origin between the position-variance dynamics in the 20% and 10% trap anisotropies for
emerges also for the momentum variance, see
Figure 2c,d. Here, the coupling constant is sufficiently large to lead to crossing of all momentum variances for the 10% trap anisotropy, but not for the 20% trap anisotropy. As a result, the former system exhibits also the anisotropy class
for the momentum variance, whereas the latter only the
anisotropy class. Summarizing, we have demonstrated in a simple scenario, of an out-of-equilibrium breathing dynamics, the emergence of anisotropy classes other than
, namely,
and
, for the many-particle position as well as many-particle momentum operators of a trapped Bose–Einstein condensate at the limit of an infinite number of particles. When these latter anisotropy classes describe the morphology of the Bose–Einstein condensate, it implies that the correlations term in (
1) governs the position and momentum variance dynamics at the infinite-particle-number limit.
3.2. Angular-Momentum Variance in the Ground State of a
Three-Dimensional Trapped Bose–Einstein Condensate
The possibility to learn on the relations governing correlations and variance anisotropy between the different components of the angular-momentum operator opens up only in three spatial dimensions. Here, in the context of the present work, the challenge is to find a many-particle model where angular-momentum properties can be treated analytically at the many-body level of theory and in the limit of an infinite number of particles. Such a model is the three-dimensional anisotropic harmonic-interaction model, and the results presented below build on and clearly extends the investigation of the two-dimensional anisotropic harmonic-interaction model reported in [
21]. The harmonic-interaction model has been used quite extensively including to model Bose–Einstein condensates [
22,
23,
24,
25,
26,
27,
28,
29,
30,
31,
32,
33,
34,
35,
36]. Finally, and as a bonus, we mention that the three-dimensional anisotropic harmonic-interaction model can also be solved analytically at the mean-field level of theory, which is useful for the analysis.
In the laboratory frame the three-dimensional anisotropic harmonic-interaction model reads:
, i.e., it is obtained from the Hamiltonian (
3) when the two-body interaction is
. Then, the ‘relative’ Hamiltonian is given explicitly by
The many-body ground state of
is readily obtained and given by
As states above, it is also possible to solve analytically the three-dimensional anisotropic harmonic-interaction model at the mean-field level of theory by generalizing [
21,
25]. The final result for the mean-field solution of the ground state reads
where
is the interaction parameter. For reference,
solves the Gross–Pitaevskii equation
, where
is the chemical potential. Note that both many-body and mean-field solutions can be written as products of the respective solutions in one dimension along the
x,
y, and
z directions.
Before we arrive at the angular-momentum variances and for our needs, see below, we make a stopover and compute the position and momentum variances per particle in the model. At the many-body level we obviously have the result (
4), since for the interacting ground-state the center-of-mass is separable and, hence, the position and momentum variances are independent of the two-body interaction. At the mean-field level we readily find from (
7) the result
The mean-field variances (
8) depend on the interaction parameter
, unlike the respective many-body variances (
4). It turns out that this property would be instrumental when analyzing the anisotropy of the angular-momentum variance below. We briefly comment on the anisotropies of the position and momentum variances in the model. Comparing the mean-field (
8) and many-body (
4) variances per particle we find that the former belong to the anisotropy class
independently of the interaction parameter
both for the position and momentum operators. For the mean-field variance of the ground state at the infinite-particle-number limit to belong to an anisotropy class other than
, one would have to go beyond the simple single-well geometry, see the anisotropy of the position variance in a double-well potential in two spatial dimensions [
37].
We can now move to the expressions for the angular-momentum variances at the limit of an infinite number of particles, by generalizing results obtained in two spatial dimensions [
21] to three spatial dimensions. The calculation at the mean-field level using (
7) readily gives
In the absence of interaction these expressions boil down, respectively, to
,
, and
, the angular-momentum variances of a single particle in a three-dimensional anisotropic harmonic potential. We see that for non-interacting particles and at the mean-field level the angular-momentum variances per particle depend on the ratios of frequencies, not on their absolute magnitudes. In the first case these are the bare frequencies of the harmonic trap whereas in the second case these are the interaction-dressed frequencies (
7) resulting from the non-linear term.
The computation of the many-body variances is lengthier. It amounts to computing the angular-momentum variances for finite systems which exhibit an explicit dependence on the number of bosons
N, and then performing the infinite-particle-number limit where several terms fall. Using [
21] the final expressions for the correlations terms (
1) are
Hence, adding (
9) and (
10) we readily have from (
1) the many-body variances per particle at the infinite-particle-number limit,
,
, and
.
We remark that the expectation values per particle of the angular-momentum operator (), as well as the respective expectation values of the position and momentum operators, computed at the mean-field and many-body levels of theory coincide at the limit of an infinite number of particles and are all equal to zero in the ground state.
We investigate and discuss an example. Let the frequencies of the three-dimensional anisotropic harmonic trap be , , and . Their ratios from large to small are: , , and . Then, the values of the angular-momentum variances per particle at zero interaction parameter, , are given from large to small by , , and . Indeed, as the ratio of frequencies with respect to two axes is bigger, the corresponding angular-momentum variance per particle with respect to the third axis is larger, and vise versa.
What happens as the interaction sets in?
Figure 3a depicts the many-body and mean-field angular-momentum variances as a function of the interaction parameter
. We examine positive values of
which correspond to the attractive sector of the harmonic-interaction model, see, e.g., [
21,
25,
29]. Let us analyze the observations. With increasing interaction parameter the density narrows, along the
x,
y, and
z directions. This is clear because the interaction between particles is attractive, and is manifested by the monotonously decreasing values of the position variances per particle (
8). Furthermore, the density becomes less anisotropic, because the ratios of the dressed frequencies
,
, and
monotonously decrease with increasing
. Consequently, the angular-momentum variances per particle decrease with the interaction parameter as well, see
Figure 3a. The mean-field angular-momentum variances (
9) are monotonously decreasing because of the just-described decreasing ratios of the dressed frequencies. The many-body angular-momentum variances are decreasing, at least for the values of interaction parameters studied here, because the positive-value correlations terms (
10) grow slower than the mean-field angular-momentum variances decrease with
.
All in all, the anisotropy of the angular-momentum variance can now be determined. We find the anisotropy
to hold for all interaction parameters at the many-body level of theory. At the mean-field level of theory we find the same anisotropy, namely,
, to hold for small interaction parameters. However, then, at just about
the mean-field anisotropy changes to
, and this anisotropy continues for larger interaction parameters. Hence, we have found that the anisotropy of the angular-momentum operator in the ground state of the three-dimensional anisotropic harmonic-interaction model at the infinite-particle-number limit changes as a function of the interaction parameter from the anisotropy class
to
, see
Figure 3a. In terms of the correlations term (
1), the anisotropy of the variance is governed then by many-body effects.
Still, can the above-found picture of angular-momentum variance anisotropy be made richer? The answer is positive and requires one to dive deeper into the properties of angular-momentum variances under translations. To this end, we employ and extend prior work in two spatial dimensions [
21]. Suppose now that the harmonic trap is located not in the origin but translated to a general point
. The expectation values per particle of the momentum and angular-momentum operators are still zero, whereas the expectation value of the position operator is, of course,
. Whereas the position and momentum variances are invariant to translations, the angular-momentum variances are not, which open up another degree of freedom to investigate the anisotropy class of the angular-momentum variances in three spatial dimensions. Mathematically, the transformation properties of the angular-momentum operator and its square combine in a non-trivial form those of the position and momentum operators. Physically, in a similar manner that angular momentum is defined with respect to a reference point, and it is different with respect to another reference point, so does the variance of the angular-momentum operator which changes with respect to distinct reference points.
Using the transformation properties of the angular-momentum operator
under translations, see
Appendix A and [
21], the final expressions for the translated angular-momentum variances per particle read explicitly
at the many-body level of theory and
at the mean-field level of theory. Let us examine expressions (
11) and (
12) more closely. The terms added to the translated angular-momentum variances at the many-body level depend on the corresponding components of the translation vector but not on the interaction parameter, whereas the added terms at the mean-field level of theory depend on and increase with
, see
Appendix A for more details. The combined effects can be seen in
Figure 3, compare panels
Figure 3b–d with panel
Figure 3a.
For the translation by
, the angular-momentum variances
and
are invariant quantities,
and
are shifted by interaction-independent values, and
and
increase by interaction-dependent values, see (
11) and (
12), and compare
Figure 3a,b. The combined effect is that now both
and
hold for all interaction parameters
in the range studied. Consequently, the anisotropy class of the angular-momentum variance per particle for
is
only.
Next, for
, the angular-momentum variances
and
are invariant quantities,
and
are shifted by interaction-independent values, and
and
grow by interaction-dependent values, contrast
Figure 3a,c. The combined effect is, of course, different than with
, and we discuss its main features, focusing on the regime of interaction parameters larger than about
, for which the two many-body curves
and
cross, see
Figure 3c. The many-body angular-momentum variances satisfy
for all studied interaction parameters. So, the effect of this translation is to alter the order of the many-body variances, i.e., to change the many-body anisotropy. Now, at the mean-field level, we find
up to about
and
for the interaction parameters larger than about
. All in all, for the translation by
the above-described relations correspond, respectively, to the anisotropy classes
and
of the angular-momentum variances per particle.
Finally, for the translation by
non of the angular-momentum variances is invariant, see (
11) and (
12). The many-body angular-momentum variances
,
, and
are shifted by interaction-independent values and the mean-field angular-momentum quantities
,
, and
increase by interaction-dependent values, see
Figure 3d. We examine the overall effect, concentrating on the regime of interaction parameters larger than about
, where the two many-body curves
and
cross, see
Figure 3d. The many-body angular-momentum variances satisfy
for all interaction parameters in the range studied. Once again, the effect of the translation is to change the order of the many-body variances, thereby altering the many-body anisotropy, compare panels
Figure 3a,c,d. At the mean-field level one finds
up to about
, then
till about
, and
for all the interaction parameters larger than about
studied, see
Figure 3d. Therefore, for
the above-discussed findings imply that all anisotropy classes can be attained by the angular-momentum variances per particle in the three-dimensional harmonic-interaction model at the infinite-particle-number limit. These are, respectively,
,
, and
. In other words, we have shown that the correlations term (
1) can dominate the angular-momentum properties of a trapped Bose–Einstein condensate at the limit of an infinite number of particles, which rounds off the present work.