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# On quantization of weakly nonlinear lattices. Envelope solitons.

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## Abstract

A way of quantizing weakly nonlinear lattices is proposed. It is based on introducing ”pseudo-field” operators. In the new formalism quantum envelope solitons together with phonons are regarded as elementary quasi-particles making up boson gas. In the classical limit the excitations corresponding to frequencies above linear cut-off frequency are reduced to conventional envelope solitons. The approach allows one to identify the quantum soliton which is localized in space and understand existence of a narrow soliton frequency band.

preprint: HEP/123-qed

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One of the most important tasks of the modern physics of atomic lattices is experimental observation of nonlinear localized excitations which are believed to exist. Although in specially prepared chains of coupled oscillators such excitations have been obtained experimentally  in the microscopic world their observation is hardly possible in a direct way. The first report on observation of intrinsic localized modes, although in a magnetic model, appeared only recently . This rises a problem of construction of statistical mechanics of nonlinear lattices which coveres both linear and nonlinear excitations and allows one to describe contribution of the localized modes to macroscopic (measurable) characteristics of solids. As the first step one has to provide quantization of atomic chains.

Anharmonic quantum lattices have been considered in literature. Two approaches developed so far one can classify following  as the number state method  and the quantum inverse scattering tecnique . Another method based on exact numerical diaganolization of a hamiltonian has been developed in  where breather modes were obtained in a lattice with $`\varphi ^4`$ on-site potential  and in a coupled electron-phonon system , both are nonintegrable. The breather modes are identified through the spectrum and dynamic correlation functions.

The mentioned approaches deal with nonlinear quantum hamiltonians given apriori. An alternative and somehow complementary way of introducing quantum systems is quantization which starts with a classical hamiltonian. As it is evident, the canonical quantization, i.e. substitution of c-numbers by their operators satisfying canonical commutation relations, formally can be provided in the case of nonlinear lattices, as well. However, in a generic situation this way is not tractable neither analytically nor numerically.

At the same time, methods of analytical description of nonlinear classical lattices are well elaborated today. They are based on introducing different small parameters and result in various spatially localized excitations. Among them we mention envelope solitons (ES) (see e. g. ) which appear when the wave amplitude is considered as a small parameter and intrinsic localized modes or breathers (see e. g. ). In the case where a small parameter can be identified as coupling between neighbor sites a quantization can be performed in a way proposed in . The role of the coupling constant magnitude in the context of quantum lattices has been discussed in .

In the present Letter we concentrate on quantization of a nonlinear lattice when the small parameter is the nonlinearity, and thus allowing in classical limit existence of ES. The respective physical limit can be interpreted as opposite to one considered in . Also in contrast to the previous studies of nonintegrable quantum nonlinear lattices, ES appears to be a dynamical object and thus allows one to construct a kinetic theory of interacting solitons and phonons.

There are several points to be reflected by the theory. It has been established that quantum nonlinear lattices have well pronounced soliton band in the spectrum which is extremely narrow for a given nonlinearity . This means that the respective object could be unambiguously identified either as ES or as intrinsic localized mode depending on the value of the frequency. Another point is the identification of a quantum ES which must go beyond computing the frequency along. Indeed, an important difference between ES and a phonon is that the soliton is spatially localized while the phonon is localized only in the momentum space. Thus we intend to obtain a quantum soliton as an object, a quasi-particle, localized in space (a possible way of construction of such wave packets is described in ). This is contrast to the quantization used the field theory  where a kink, being a topological object, is considered as a vacuum state. Finally, an important property of the classical theory is that ES are governed in the leading order by the nonlinear Schrödinger equation  what means that in the leading order they do not interact with linear phonons and can be regarded as independent quasi-particles. Thus in the leading order the quantum theory must allow one to introduce creation and annihilation operators for quantum soliton and neglect its interactions with other quasi-particles. In this way the interaction hamiltonian will naturally appear as a perturbation and thus the gas of interacting quasi-particles – solitons and phonons – can be considered within the conventional perturbation technique of the field theory.

It is to be mentioned that the approach developed below have some points similar to one proposed in  for quantum optical solitons. In particular, quantum ES in is described in terms of the field operators (we call them pseudo-field operators) which are the Fourier transform of the conventional creation and annihilation operators. There are however several essential differences between our method and the approach of  (apart from different systems to be quantized). First, we start with the original (i.e not approximated) classical dynamical system. Second, we introduce a soliton as a quasi-particle. Third, we consider a highly rarified gas of quasi-particles in the quasi-classical limit (while in  the Hartree approximation for a photon gas was exploited). Finally, quantum ES emerges as a matrix element of the creation operator applied to the vacuum state  (notice that in the classical theory envelope solitons are not necessarily real). If however one considers an ES as an excitation of the displacement field (see $`u_n`$ below) then the quantum ES appears to be an observable.

Speaking about quantization of ES one can identify one essential feature of the quantum model. In the classical theory the ES amplitude (and frequency detuning) is not a fixed value (see e.g. ). That is why, the energy associated with the classical ES is not a fixed quantity. The respective quantum problem has a scale defined by the Planck constant: it is natural to expect that the excitation characterized by the frequency $`\omega `$ will have the energy $`\mathrm{}\omega `$. Taking into account that the linear oscillator energy is given by $`m\omega ^2A^2`$ (here $`m`$ is a mass and $`A`$ is the amplitude) one concludes that the amplitude of the quantum ES must be of order of $`\lambda =\sqrt{\mathrm{}/\omega m}`$. On the other hand the amplitude of the soliton must be small enough. In order to specify this last requirement, let us assume that the interaction energy of neighbor sites is $`U(x)`$ and define a characteristic scale of the energy variation: $`L(|\frac{1}{U(x)}\frac{d^2U(x)}{dx^2}|)^{1/2}`$. Then the relation between the nonlinear and linear terms in the classical model is of order of $`(A/L)^2`$. It is this value that appears to be a small parameter in the classical theory, or more precisely $`A/L1`$. Then substituting the estimate for the amplitude obtained above on the basis of quantum approach one gets the requirement $`\frac{\mathrm{}}{\omega mL^2}1`$ as a condition for the validity of the small amplitude expansion. Scaling out all the quantities and assuming that the characteristic spatial size of the excitation is one, $`L1`$ we conclude that the effective small parameter of the problem is $`\mathrm{}`$, i.e. we a re dealing with the quasiclassical limit.

We consider quantization of a one-dimensional monoatomic lattice described by the hamiltonian

$`H={\displaystyle \frac{1}{2}}{\displaystyle \underset{n}{}}{\displaystyle \frac{p_n^2}{m}}+{\displaystyle \frac{1}{2}}{\displaystyle \underset{n_1,n_2}{}}K_2(n_1,n_2)x_{n_1}x_{n_2}`$ (1)
$`+{\displaystyle \frac{1}{4}}{\displaystyle \underset{n_1,\mathrm{},n_4}{}}K_4(n_1,\mathrm{},n_4)x_{n_1}\mathrm{}x_{n_4}`$ (2)
where $`x_n`$ and $`p_n=m\dot{x}_n`$ are displacements of atoms from the equilibrium position and their linear momenta, $`K_2(n_1,n_2)`$ and $`K_4(n_1,\mathrm{},n_4)`$ are linear and nonlinear real force constants. Overdot hereafter stands for the derivative with respect to time. We concentrate on the case of the force coefficients symmetric with respect to permutation of the indexes, e.g. $`K_2(n_1,n_2)=K_2(n_2,n_1)`$. Also it is assumed that $`_{n_1}K_2(n_1,n_2)=0.`$

First of all we recall some facts of the theory of linear lattices. Consider vibrations of a one-dimensional (possibly disordered) lattice described by the Hamiltonian

$$H=\frac{1}{2}\underset{n}{}\frac{p_n^2}{m_n}+\frac{1}{2}\underset{n,l}{}K(n,l)x_nx_l$$
(3)
where $`m_n`$ is the mass of the $`n`$th atom and $`K(n,l)=K(l,n)`$ are real force constants. It is convenient to introduce new dependent variables $`u_n=\sqrt{m_n}x_n`$ and force constants $`J(l,n)=K(l,n)/\sqrt{m_lm_n}`$. The respective equation of motion reads

$$\ddot{u}_n+\underset{l}{}J(n,l)u_l=0$$
(4)
It will be assumed that the lattice consists of $`𝒩`$, $`𝒩1`$, atoms and is subject to the cyclic boundary conditions. Then equation (4) can be associated with the linear spectral problem \[$`\psi _q(n)=\psi _q(n+𝒩)`$\]

$$\underset{l}{}J(n,l)\psi _q(l)=\omega _q^2\psi _q(n),$$
(5)
where real eigenvalues $`\omega _q^2`$ are squared eigenfrequencies and $`q`$ denotes eigenmodes, eigenfunctions $`\psi _q(n)`$ and $`\overline{\psi }_q(n)`$ correspond to the same eigenfrequency (an overbar stands for complex conjugation). Introducing the matrix $`𝐉`$ with the element $`J(n,l)`$ placed at $`n`$th row and $`l`$th column, a ket-vector $`|q\}=\text{col}(\mathrm{},\psi _q(n1),\psi _q(n),\psi _q(n+1),\mathrm{})`$ and a bra-vector $`\{q|=(\mathrm{},\overline{\psi }_q(n1),\overline{\psi }_q(n),\overline{\psi }_q(n+1),\mathrm{})`$ we rewrite the eigenvalue problem (5) in the form $`𝐉|q\}=\omega _q^2|q\}`$. We assume that $`\omega _q=\omega _q`$, i. e. $`\overline{\psi }_q(n)=\psi _q(n)`$. $`\psi _q(n)`$ constitute an orthonormal complete set $`\{q|q^{}\}=_n\overline{\psi }_q(n)\psi _q^{}(n)=\delta _{q,q^{}}`$, and $`_q\overline{\psi }_q(n)\psi _q(l)=\delta _{n,l}`$ (here $`\delta _{l,n}`$ is the Kronecker delta).

Quantization of lattice (4) can be reduced, first, to the problem of the diagonalization of the matrix $`𝐉`$ and, second, to the quantization of independent linear oscillators. In the normalized variables the kinetic energy is written in the form $`\{\pi |𝐈|\pi \}`$ where $`|\pi \}=`$col$`(\mathrm{},\pi _{n1},\pi _n,\pi _{n+1},\mathrm{})`$, $`\pi _n=\dot{u}_n`$ is the momentum conjugate to $`u_n`$, and $`𝐈`$ is the unit matrix. Thus any matrix diagonalizing the potential energy will preserve the diagonal form of the kinetic energy. To provide diagonalization of the potential energy we construct a $`𝒩\times 𝒩`$ matrix $`𝚿=(\mathrm{},|q_{j1}\},|q_j\},|q_{j+1}\},\mathrm{})`$ \[here numbering of the discrete eigenvalues is introduced\]. As is clear $`𝐉𝚿=𝚿𝛀^2`$, where $`𝛀=`$diag$`(\mathrm{},\omega _{q_{j1}},\omega _{q_j},\omega _{q_{j+1}},\mathrm{})`$, i.e. the matrix $`𝚿`$ diagonalizes $`𝐉`$: $`𝚿^1𝐉𝚿=𝛀^2`$. If one represents $`|u\}=𝚿|X\}`$ and $`\{u|=\{X|𝚿^1`$ where $`|u\}=`$col$`(\mathrm{},u_{n1},u_n,u_{n+1},\mathrm{})`$ and $`|X\}=`$col$`(\mathrm{},X_{q_{j1}},X_{q_j},X_{q_{j+1}},\mathrm{})`$ is a column matrix of the normal coordinates with $`X_q=\overline{X}_q`$, the potential energy will take the form $`\{X|𝛀^2|X\}`$. Finally

$$H=\frac{1}{2}\{P|P\}+\frac{1}{2}\{X|𝛀^2|X\},$$
(6)
where $`|P\}=`$col$`(\mathrm{},P_{q_{j1}},P_{q_j},P_{q_{j+1}},\mathrm{})`$ is related to the representation $`|\pi \}=𝚿|P\}`$.

In order to quantize the linear disordered lattice one introduces phonon annihilation and creation operators

$`\widehat{a}_q=\sqrt{{\displaystyle \frac{\omega _q}{2\mathrm{}}}}\widehat{X}_q+{\displaystyle \frac{i}{\sqrt{2\mathrm{}\omega _q}}}\widehat{P}_q`$ (7)
$`\widehat{a}_q^{}=\sqrt{{\displaystyle \frac{\omega _q}{2\mathrm{}}}}\widehat{X}_q{\displaystyle \frac{i}{\sqrt{2\mathrm{}\omega _q}}}\widehat{P}_q`$ (8)
where $`\widehat{X}_q`$ and $`\widehat{P}_q`$ are operators of the c-numbers $`X_q`$ and $`P_q`$ satisfying the canonical commutation relations. Then the Hamiltonian is reduced to the conventional form $`\widehat{H}_l=_q\mathrm{}\omega _q\left(\widehat{a}_q^{}\widehat{a}_q+\frac{1}{2}\right).`$ Operators of displacements and of linear momenta read

$`\widehat{u}_n={\displaystyle \underset{q}{}}\sqrt{{\displaystyle \frac{\mathrm{}}{2\omega _q}}}[\psi _q(n)\widehat{a}_q+\overline{\psi }_q(n)\widehat{a}_q^{}]`$ (9)
$`\widehat{\pi }_n=i{\displaystyle \underset{q}{}}\sqrt{{\displaystyle \frac{\mathrm{}\omega _q}{2}}}[\psi _q(n)\widehat{a}_q\overline{\psi }_q(n)\widehat{a}_q^{}]`$ (10)
Let us introduce Schrödinger pseudo-field operators according to the relations

$$\widehat{\psi }_n=\underset{q}{}\psi _q(n)\widehat{a}_q,\widehat{\psi }_n^{}=\underset{q}{}\overline{\psi }_q(n)\widehat{a}_q^{}$$
(11)
They describe creation and annihilation of a quasi-particle at the site $`n`$. We emphasize the main distinguishing feature of these operators compared with the canonical field operators: $`\psi _q(n)`$ is an eigenfunction of the classical problem rather than a wave-function.

It is not difficult to verify that

$$\widehat{a}_q=\underset{n}{}\overline{\psi }_q(n)\widehat{\psi }_n,\widehat{a}_q^{}=\underset{n}{}\psi _q(n)\widehat{\psi }_n^{}$$
(12)
and there exist commutation relations

$`[\widehat{\psi }_{n_1},\widehat{\psi }_{n_2}]=[\widehat{\psi }_{n_1}^{},\widehat{\psi }_{n_2}^{}]=0,[\widehat{\psi }_{n_1},\widehat{\psi }_{n_2}^{}]=\delta _{n_1,n_2}`$ (13)
The operator of number of quasi-particles is given by

$$\widehat{N}=\underset{q}{}\widehat{a}_q^{}\widehat{a}_q=\underset{n}{}\widehat{\psi }_n^{}\widehat{\psi }_n$$
(14)
Finally, following the conventional procedure we introduce Heisenberg pseudo-field operator

$$\widehat{\mathrm{\Psi }}_n(t)=\mathrm{exp}\left(i\frac{\widehat{H}t}{\mathrm{}}\right)\widehat{\psi }_n\mathrm{exp}\left(i\frac{\widehat{H}t}{\mathrm{}}\right)$$
(15)
It solves the equation

$$\frac{^2}{t^2}\widehat{\mathrm{\Psi }}_n(t)+\underset{l}{}J(n,l)\widehat{\mathrm{\Psi }}_l(t)=0.$$
(16)
Let us now consider a nonlinear lattice with classical Hamiltonian (1) after the renormalization $`J_2(n_1,n_2)=K_2(n_1,n_2)/m`$ and $`J_4(n_1,\mathrm{},n_4)=K_4(n_1,\mathrm{},n_4)/m^2`$. To obtain explicit form of the quantum hamiltonian we assume that the definition (9) holds in the nonlinear case. We substitute operators of the displacement and linear momenta (9) into the Hamiltonian, and express the result through the pseudo-field operators, rearranging the last ones in the normal order and dropping the constant which corresponds to the energy of the lattice vacuum. Then $`\widehat{H}=\widehat{H}_0+\widehat{H}_{int}`$. The operator $`\widehat{H}_0`$ has the form

$`\widehat{H}_0={\displaystyle \underset{n_1,n_2}{}}S_{n_1,n_2}\widehat{\mathrm{\Psi }}_{n_1}^{}\widehat{\mathrm{\Psi }}_{n_2}={\displaystyle \underset{q}{}}\mathrm{}\omega _q\widehat{a}_q^{}\widehat{a}_q`$ (17)
with the kernel $`S_{n_1,n_2}=_q\mathrm{}\omega _q\psi _q(n_1)\overline{\psi }_q(n_2)`$. Now $`\psi _q(n)`$ is an eigenfunction and $`\omega _q`$ is a frequency of the ”nonlinear” eigenvalue problem. The ”nonlinearity contribution” emerges from the ordering procedure. More precisely, the eigenvalue problem (5) is now considered with the kernel

$$J(n,l)=J_2(n,l)+J_d(n,l)$$
(18)
where $`J_2(n,l)`$ is the force constant of the underline linear lattice and the ”deformation” $`J_d(n,l)`$ is given by

$`J_d(n_1,n_2)={\displaystyle \frac{3\mathrm{}}{2\omega _q}}{\displaystyle \underset{q}{}}{\displaystyle \underset{l_1,l_2}{}}J_4(n_1,n_2,l_1,l_2)\psi _q(l_1)\overline{\psi }_q(l_2).`$

The interaction potential $`\widehat{H}_{int}`$ has the form

$`\widehat{H}_{int}={\displaystyle \underset{n}{}}S_{n_1n_2n_3n_4}[\widehat{\mathrm{\Psi }}_{n_1}\widehat{\mathrm{\Psi }}_{n_2}\widehat{\mathrm{\Psi }}_{n_3}\widehat{\mathrm{\Psi }}_{n_4}+\widehat{\mathrm{\Psi }}_{n_1}^{}\widehat{\mathrm{\Psi }}_{n_2}\widehat{\mathrm{\Psi }}_{n_3}\widehat{\mathrm{\Psi }}_{n_4}`$ (19)
$`+\widehat{\mathrm{\Psi }}_{n_1}^{}\widehat{\mathrm{\Psi }}_{n_2}^{}\widehat{\mathrm{\Psi }}_{n_3}\widehat{\mathrm{\Psi }}_{n_4}+\widehat{\mathrm{\Psi }}_{n_1}^{}\widehat{\mathrm{\Psi }}_{n_2}^{}\widehat{\mathrm{\Psi }}_{n_3}^{}\widehat{\mathrm{\Psi }}_{n_4}+\widehat{\mathrm{\Psi }}_{n_1}^{}\widehat{\mathrm{\Psi }}_{n_2}^{}\widehat{\mathrm{\Psi }}_{n_3}^{}\widehat{\mathrm{\Psi }}_{n_4}^{}]`$ (20)
with the kernel

$`S_{n_1n_2n_3n_4}={\displaystyle \frac{\mathrm{}^2}{16}}{\displaystyle \underset{q}{}}{\displaystyle \underset{l}{}}{\displaystyle \frac{J_4(l_1,l_2,l_3,l_4)}{\sqrt{\omega _{q_1}\omega _{q_2}\omega _{q_3}\omega _{q_4}}}}\psi _{q_1}(l_1)\psi _{q_2}(l_2)\times `$ (21)
$`\psi _{q_3}(l_3)\psi _{q_4}(l_4)\overline{\psi }_{q_1}(n_1)\overline{\psi }_{q_2}(n_2)\overline{\psi }_{q_3}(n_3)\overline{\psi }_{q_4}(n_4)`$ (22)
In the small amplitude limit which corresponds to small $`J_4`$, $`\widehat{H}_{int}`$ can be considered as a perturbation. That is why we introduce pseudo-field operators in the interaction representation, $`\widehat{\mathrm{\Psi }}_n^{(0)}(t)`$, by formula (15) where $`\widehat{H}_0`$ is used instead of $`\widehat{H}`$. Then one can verify that $`\widehat{\mathrm{\Psi }}_n^{(0)}(t)`$ solves (16) with $`J(n,l)`$ given by (18).

In order to show how ES comes out from the above approach we notice that the ES solution corresponds to the situation when only one quasi-particle is excited in the lattice. In what follows quasi-particles corresponding to the frequencies inside the spectrum band of the linear lattice, $`\omega [0,\omega _0)`$ where $`\omega _0`$ is the cut-off frequency of the underline linear lattice, are called phonons while excitations with $`\omega >\omega _0`$ will be referred to as solitons. Then $`\widehat{\mathrm{\Psi }}=\widehat{\mathrm{\Psi }}_{ph}+\widehat{\mathrm{\Psi }}_s.`$

Let us introduce the notation $`|n_{q_1},\mathrm{},n_{q_N}`$ for the wave function of a state when $`n_{q_j}`$ quasi-particles with the wave number $`q_j`$ are excited. Then the ”one soliton” state, when there exists only one eigenvalue $`\omega _s`$ bigger than $`\omega _0`$, is $`|0,\mathrm{},0;1`$ and $`\psi _s(n)=0,\mathrm{},0;0|\widehat{\mathrm{\Psi }}|0,\mathrm{},0;1`$ \[we use the notation $`\psi _s(n)\psi _{q=\pi /a}`$, $`\omega _s=\omega _{q=\pi /a}`$\]. In order to obtain $`\psi _s`$ we rewrite Eq. (5) in the form

$`\omega _s^2\psi _s(n)={\displaystyle \underset{m}{}}\psi _s(m)J_2(n,m)+{\displaystyle \frac{3\mathrm{}}{2\omega _s}}\times `$ (23)
$`{\displaystyle \underset{m_1,m_2,m_3}{}}J_4(n,m_1,m_2,m_3)\psi _s(m_1)\overline{\psi }_s(m_2)\psi _s(m_3)`$ (24)
As far as the small amplitude limit is under consideration the frequency $`\omega _s`$ is close to the cut-off frequency of the underline linear lattice, $`\omega _0`$, and one can introduce a small parameter $`ϵ`$ ($`ϵ1`$) through the relation $`\omega _s^2\omega _0^2=ϵ^2\omega _0^2`$ where $`ϵ^2=2(\omega _s/\omega _01)`$ is the frequency detuning towards the forbidden zone.

We look for the solution of (23) in the form

$$\psi _s(n)=ϵ\sqrt{\frac{2\omega _s}{3\mathrm{}}}\phi _nA(ϵn)$$
(25)
where $`\phi _n`$ is the eigenvalue of the problem for the perfect linear lattice, i.e. $`J(n,l)=J_2(n,l)`$ in (5). Then expanding $`A(ϵ(nl))`$ (here $`l`$ depends on the number of nearest neighbors interacting with given atom) in the Taylor series with respect to $`ϵl`$, introducing $`x=ϵan`$ (treated as a continuum spatial variable) and taking into account that $`\psi _s(nl)=\psi _s(n+l)`$ one arrives at

$`{\displaystyle \frac{a^2}{2}}{\displaystyle \underset{n_1,n_2}{}}(n_1n_2)^2J_2(n_1,n_2)\overline{\phi }_{n_1}\phi _{n_2}{\displaystyle \frac{^2A}{x^2}}+`$ (26)
$`{\displaystyle \underset{n}{}}J_4(n_1,\mathrm{},n_4)\phi _{n_1}\overline{\phi }_{n_2}\phi _{n_3}\overline{\phi }_{n_4}|A|^2A=\omega _0^2A`$ (27)
which is obtained for monochromatic solution of the 1D nonlinear monoatomic lattice within the framework of the conventional multiscale analysis .

The obtained results corraborate with the known ones. In particular, it has been shown that for the given nonlinearity the frequency of the quantum soliton is fixed by the normalization condition . This condition defines $`ϵ`$ introduced in (25) and must be computed for each lattice separately. It is however clear that in any case the result gives $`ϵ\sqrt{\mathrm{}}`$ which means the consistency of the expansion. On the other hand this result does not contradict to the existence of a narrow soliton band which has been explained in  with help of different arguments. Indeed, quantum ES is characterized not only by the ”carrier wave” frequency but also by the frequency smearing which is of order of $`(\mathrm{}/m)^{3/2}\omega _0^{1/2}L^3`$. Our results corraborate also with recent findings in the classical statistical mechanics of nonlinear systems. Namely it is well known that boson display a tendency of creating clusters (see e.g. ). This means that creation of a phonon and a quantum ES sufficiently close to each other will end up in clustering of the two quasi-particles. This can be viewed as absorption of the phonon by the soliton. This phenomenon has been observed recently in numerical experiments . Finally, in the leading order with respect to the nonlinearity solitons and phonons are noninteracting objects. Interaction is taken into account in higher orders of the expansion.

VVK is grateful to Prof. M. V. Berry for valuable comments and to Prof. V. Eleonskii for attention to this work. We thank referee for drawing our attention to Ref. . VVK acknowledges support from FEDER and Program PRAXIS XXI, No Praxis/P/Fis/10279/1998.