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1990 Phys. Scr. 42 257

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Physica Scripta. Vol. 42, 257-262, 1990.

A Generalized Discrete Self -Trapping Equation

Alwyn C. Scott
Mathematics Department, University of Arizona, Tucson, Arizona 85721, U.S.A.

and
Peter L. Christiansen*
Laboratory of Applied Mathematical Physics, The Technical University of Denmark, DK-2800 Lyngby, Denmark

Received August 18, 1989: accepted December 19, 1989

Abstract It is evident upon inspection that eq. ( I . 1) is integrable for

A generalized discrete self-trapping (DST) equation, which allows adjust-
any non-negative integer value of 0.To see this merely notice
ment of the degree of nonlinearity is investigated both classically and quantum that eq. ( l . has a phase space Of four dimensions and there
mechanically. Such higher degrees of nonlinearity arise in the boson rep- are two conserved quantities.
resentation of spin systems. With two freedoms, our system is closely related In Section 2 various Hamiltonian formulations of the
to the Feynman top. The Hamiltonian structure and classical motion are classical theory are described, and stationary solutions are
discussed in detail. Previous descriptions of the classical problem are shown
to be special cases of the general formalism presented here.
discussed. Quantum effects are considered in Section 3. Some
comparisons between classical and quantum mechanical
results are discussed in Section 4.
1. Introduction
Some years ago the discrete self-trapping (DST) equation 2. Classical theory
was introduced as a useful model for several interesting 2.1. Reduced system
physical phenomena including: dynamics of small molecules,
molecular crystals and biomolecules [ 1-31, Subsequent A straightforward approach to the analysis of the DST
studies of the DST equation from the perspective of quantum system, that was introduced in reference [l], proceeds as
mechanics [4-lo], show it to be also useful for investigating follows. Express A , and A 2 in polar coordinates as
the relationship between (nonlinear) classical dynamics and A, a, exp (io,)
(linear) quantum dynamics. It is this line of thought that we (2.1a, b)
follow in the present paper. A, = a? exp (i&)
Consider a generalized DST system with two degrees of where a , , a z , 6,and 0, are real. Then define
freedom
ik, + yl A , I2"A, + EA, = 0
( l . l a , b) and note that
ik, + ~ I A , / ~ " A , + EA, = O
NI = U:
where A , and A , are complex functions of time, E and y are (2.3a, b)
real constants, and 0 = 0, I , 2, . . . etc. determines the N2 = U:.

"degree" of nonlinearity that is present in the problem. For Then the Hamiltonian becomes
CT = 0, the problem is linear. For CT = 1, the nonlinearity is
as in reference [l]. In this paper we are primarily interested in
studying both classical and quantum dynamics of eq. ( I . I ) for
H" = - '
o + l
[NP+' + (N -
(2.4)
0 2 2. We note that this is an important generalization of
- 2~ (NN, - N:)'~2cos0.
the standard (0 = 1) DST equation which was treated in
Refs. [l-101 because such higher degrees of nonlinearity arise N I and 8 are canonical variables since the equations
in the boson representation of spin systems [l l-121.
Equation ( I . 1) is a Hamiltonian system with conserved
NI =
aH,
-
energy 20 (2.5a, b)

. ,
and conserved number (or norm) are identical to the dynamical equations for NI and 8, namely
N = N,+N, (1'3) NI = 28 (NN, - N:)1'2sin8
where N , [ A ,l2 and N, = IA,I2.
N - 2Nl
8 = y (NP - (N - N,)"] +E -
7
Nil
,/,case.
* Presently at the Center for Nonlinear Studies, Los Alamos National 1" (

Laboratory, Los Alamos, N M , 87545, U.S.A. (2.5'a, b)

Physica Scripta 42
258 Alwyn C. Scott and Peter L. Christiansen

2.2. Stationary solutions stable for N < N, where

Here we assume that
A, = exp (iwt) (2.17)
(2.6a, b)
At N = N,, the symmetric solution bifurcates into an
A, = 42exp (iwt) unstable, symmetric solution and a stable, unsymmetric
where w is a real, constant frequency. In Ref. [l] it was shown solution.
that singular points of eqs. (2.5') are stationary solutions. If
H,,(N) is the Hamiltonian (2.4) evaluated at a singular point, 2.3. General solutions
then Eliminating 6 between eqs. (2.4) and (2.5'a) yields
w = -dH,,,/dN. (2.7) (P?l)2 = ~ E ~ ( N-NN:)~
At a singular point of eqs. (2.5'), sin8
cos6 = k 1
and eq. (2.5'b) becomes
= 0 so
(2.8)
-
7
[H + -
o + l
(N;" ( N - NI)"")+ I'
(2.18)

where N a n d H a r e to be interpreted as constants determined

by initial conditions. The right hand side polynominal is of
~ ( 2 N l- N ) [NP-' + N f - 2 ( N - N I ) order v (in N I ) which is related to o as follows.
(2.9) For o = 0, v = 2 and NI is a sinusoid of frequency 2 ~ .
N - 2Nl
+' ' . + ( N - NI)"-'] f E
(NN, - Nf)I'*
= 0. For o = 1 and 2, v = 4 and NI is a Jacobi elliptic function.
For o = 3 and 4, v = 8 and NI is the inverse of a hyper-
elliptic integral of the first kind of class 3.
There are two possibilities for solutions of eq. (2.9).
Assume p to be an odd integer. For o = p and p + 1,
(i) 2Nl - N = 0. Using this condition and eq. (2.8) in the
v = 2(p + 1) and N , is the inverse of a hyperelliptic integral
Hamiltonian (2.4), then differentiating according to eq. (2.7)
of the first kind of class p [14].
gives

w = Y(;p& 2.4. Feynman formalism

(2.10) The generalized DST system with two degrees of freedom,
eq. ( I . ] ) , can be written in the form of the Feynman top
where the "+" sign indicates a symmetric (41 = 42)solution
and the " - " sign indicates an antisymmetric solution i = Cl, x r . (2.19)
(41 = - 4 2 ) . Here [ 151
(ii) 2 4 - N # 0. This leads to the unsymmetric
y = (YI r2, y3)
(4: # 4;) case. N I is a root of 9

YI = A , A ? * + A2A;C (2.20a, b, c, d)
+N;-'(N - N I ) + . . . + ( N -
(2.1 1) r2 = i ( A , A : - A 2 A 3
x (NN, - N f ) =
Yj = IAll2-IAZIZ
and the corresponding frequency is
and in the case of a generalized DST system
(2.12) Cl,, = ( - 28, 0, Y (I A, 1"' - I A , 12" ) . (2.21)

For o = 0 there is no unsymmetric solution. For o = 1 Expressed in terms of the Feynman variables r I, r 2 , r3 the
(the case considered in Ref. [l]) conserved norm becomes
N (r: + ri + Y:)"~ (2.22)
NI

=
= E2 [ ]
YN.
(1 -&)"*I (2.13)

(2.14)
=

and the Hamiltonian

Note that this unsymmetric solution only exists for

(2.23)
N > N, E 2.4~.
Foro = 2 Introducing r3 and its conjugate momentum pi as canonical

NI = 5[1
2 k (1 - $)',I (2.15)
variables we assume that r , can be written as a function ofp,
[16]. Thus the potential energy is

(2.16)
and the kinetic energy becomes
In this case the unsymmetric solution exists only for (2.24b)
Ekl" = -EY1(P3).
N > N, = (2~/y)'".
Using the analysis of Carr and Eilbeck [ 131 it is straight- Hamilton's equations are
forward to show that the antisymmetric solution is stable for ?If?"
p, = -- (2.5a)
all N. The symmetric solution, on the other hand, is only Zt.3

Physica Scripta 42
 A Generalized Discrete Self- Trapping Equation 259

and with respect to q.) Furthermore, from eq. (2.19) follows

By means of eqs. (2.22) and (2.19) we may eliminate r l For o = 0 eq. (2.27) gives
from eq. (2.23) and obtain
d3 = 0 = p 3 = constant. (2.32)
(33)2 = 4&*(N2- r:)
Thus

(2.33a, b, c)
+ (N - rJ+I)
J. i3 = 2Er2 J
All the remarks following eq. (2.18) apply to eq. (2.26). In i.e., Y I = constant, r2 and r3 are sinusoids with frequency 2 ~ .
Table I summarize the properties of the solution to eq. (2.26), For = 1 eqs. (2.27) and (2.3 1) give
r3 (0.
Differentiation with respect to time yields a second order 0, = p3 (2.34)
differential equation for r3 of the form
and
f 3 = polynomial of r3 of degree v - 1.
(2.35)
For o = 0 we get v - 1 = 1. For (T = 1 and 2 the result is
with solution
v - 1 = 3 leading to the space-independent $4-equation as
found for o = 1 in Ref. [17]. For (T = 3 and 4 v - 1 = 7, 2E
andingeneralv - 1 = 2 p +
1 wheno = p a n d p 1, p + f(4) =
i
+ 2 cos ( 4 - 40) (2.36)
being an odd integer.
where 1and qo are real integration constants. Differentiation
From eq. (2.25a) follows
with respect to time yields the pendulum equation [18] for
Y 4 = 2P3
P3 = p [ ( N + r3)‘ - ( N - r3)‘I. (2.27)
q = 27.2 ct sin ( q - qo). (2.37)
Thus For o
= 2 we obtain in a similar manner
c;2, = ( - 2 ~ , 0, -2P3). (2.28) ;’N
p 3 = -r (2.38)
From eq. (2.25b) follows 2 3.
2E
(2.29a, b) f ( 4 ) = , N + cos ( 4 - 401,
(2.39)

and
where we have introduced
q = 27N~ctsin ( q - qo). (2.40)
rl = f(4) (2.30)
For o = 3 eq. (2.27) gives
with q = 2p3 for convenience. (Prime denotes differentation
O3 = ($Nz + I4r 32 ) r 3 9 (2.41)
2
Table I. Feynman variable and its conjugate momentum versus which inserted into eq. (2.31) yields
degree of nonlinearity. (Terminology as defined in Ref. [14].)

Degree of Feynman Equation for ( f ” ( q ) + f(s)) (N’ - a [(f(q)I2 + (f(q))2]) = ?. (2.47)

Y
nonlinearity variable conjugate momentum
First integrals to this equation are given by
U r3 (0 P3 (4
(f(4))2 = - (f(4))2+ F ( f L (2.48)
0 sinusoid p 3 = const.
where F ( f ) satisfies
1.2 Jacobi elliptic Pendulum eauation
function with sinusoid l -d( FN 2 -$F) = -
2E
(2.49)
3,4 Inverse of Generalized pendulum * df I
hyperelliptic integral equation with inverse of
of 1st kind, 3rd class elliptic integrals of 3rd kind Integrating eq. (2.49) with reSepCt to f and noting that
F’(q) = dF/dff’(q) we get
Inverse of Generalized pendulum
hyperelliptic integral equation with inverse of 4E 1
of 1st kind, 5th class hyperelliptic integrals F’(q) = 7
) N2 - $F
of 3rd kind, 2nd class

etc. etc. >; + F, (2.50)

Physica Scripta 42
260 Alwyn C. Scott and Peter L. Christiansen

where CI is a real intergration constant. Thus the inverse of F Table 11. Quantum operators that correspond to I A for
is an elliptic integral of third kind [14]. For this case we obtain non-negative integer values of a
the generalized pendulum equation for q
~ IA12V+Z P" (BtB)
q = - - &Y (2N' - F )

(2.5 1)

For a = 4 we get correspondingly

8.5 1
F'(q) = -
yN 2N2 - F (2.52)

4E
and etc.
4 = -y&N(4N2 - 3F)
(2.53)
x i)-J + F. which operate on number states In, > In, > . For typo-
graphical convenience we write I n , > I n, > = ( n ,, n2).The
rules for these operators are "bosonic"; thus
For a = 5 we get
B , ( n , ,n2) = &-I ( n , - 1, n2) (3.2a)
5
p, = y - N4 + - N2r: + (2.54)
(3'2 16 & ( n , , n2> = JG ( n , , n2 - 1) (3.2b)
leading to B ! ( n , , n2> = J.IT-i( n , + 1, n 2 ) (3.2~)

&(HI, n 2 ) = J n , + 1 ( U , , n2 + 1) (3.2d)
(2.55)
and

x&(&F3-- 3N2y [B,, B;] = 6,. (3.3)

328 Now we consider the quantum operator corresponding to
NI = 1 A , 1'. Since the order of the factors is not determined,
Thus the inverse of F is a hyperelliptic function of third kind we write the average
of second class [14]. In this case the conjugate momentum
satisfies the generalized pendulum equation NI ;
= - (AlA?+ A?A,,), (3.4a)
~ - N 2 F+
q = - 5 y (N4 4 P') and under quantization

x J- ( & F 3 - -
3N2y NI + B ; B , + 3. (3.4b)
32~ In general we need the operators corresponding to
(2.56) JA,120+2.Taking the average of all orderings of A , and A,*
requires consideration of (20 2)!/[(a + +
1)!12 terms. The
For a = 6 similar results are obtained [16]. results of such averagings are listed in Table 11. In the
Assume p to be an odd integer. For a = p and p +
1 the notation of this table, the Hamiltonian (1.2) becomes the
differential equation for F contains the square root of a energy operator
polynomial of degree p +
1 multiplied by a polynomial of
degree (p - 1)/2. Thus F is the inverse of a hyperelliptic
integral of the third kind of class ( p - 1)/2 [14]. (3.5)
Our results on the generalized pendulum equation for - E @ B 2 + BIB;).
the conjugate momentum are summarized in Table I. Con-
servation of number and energy is used to obtain r3(t),while We seek eigenfunctions of both Ha and the number operator
only conservation of number is used to obtain the equation
for p , . fi = BrB, + B:B2 (3.6)
where, for convenience, we define fi = fi, + f i 2 - 1.
Any number state, say ( n , , n,), is an eigenfunction of fi
3. Quantum theory
3.1. Quantization
with eigenvalue n = n , +
n2. For a fixed value of n, the most
general wavefunction is
Following [4], we quantize by replacing A , and its complex
conjugate by annihilation and creation operators. Thus (3.7)
A , + 8,
i = 1,2 (3.la, b) where the c (n, j ) are possibly complex coefficients and
A,*+ B: (n - j , j ) is the number state I ( n - j ) > l j > . The c ( n , j )
Physica Scripta 42
 A Generalized Discrete Self-Trapping Equation 26 1

are determined by requiring also that i+bn be an eigenfunction 3.2. Wavefunctionsfor a =0

of f i u . This requirement The diagonal elements of Hn(a)for a = 0 are identical and
fiui+bn = EICln (3.8) given by
leads to the following matrix equation for the c (n, p): Hn(0) = -(n + 1)y. (3.11)

H,, (a) c = EC (3.9) Taking the off-diagonal elements from [4], it is straight-
forward to compute eigenvalues and eigenvectors from eq.
where (3.9). These are listed in Table 111. Here {i+b(n,p); p = 0,
c col (c (n, 0), c (n, l), . . . , c (n, n)) (3.10) 1, . . . , n>is an orthonormal set of eigenfunctions of fibwith
number eigenvalues n and energy eigenvalues E (n, p ) . It is
and H,,(a) is a real, ( n +
1) x (n + I), symmetric matrix. convenient to denote this set as a “sector” of number n.
In general H,,(a) is a tridiagonal matrix. For a = 1, it was Within a sector, the state of highest energy is the ground
explicitly constructed in Ref. [4]. It is readily constructed for state of the antisymmetric stationary solution. Likewise the
a # 1 because the off-diagonal elements do not change and state of lowest energy is the ground state of the symmetric
the diagonal elements are easily computed from the first term stationary solution. Between these two extremes, we find
of eq. (3.5) and Table 11. energy levels that are equally spaced by an energy of 2.2.
Referring to eqs. (2.33b and c), we see that these levels are just
those of the sinusoidal oscillator in the Feynman top.
Table 111. Orthonormal eigenfunctions and eigenvalues for
a = o 3.3. Splitting formulas for a > 0
The structure of Table I11 remains the same for a > 0. In
particular, the number of states in the nth sector remains
-Y equal to n +
1; but the energy eigenvalues, E (n, p ) , are no
longer equally spaced within a sector. This is to be expected
-21 + E
because, as was discussed in detail in Section 2.4 and Table I,
the oscillations of the Feynman top are no lopger sinusoidal
for a > 0.
I I -2y - E Consider the nth sector. Detailed calculations show that
the coefficients of number states (n, 0) and (0, n ) increase with
a. In this way, increasing anharmonicity leads to increasing
2 0 -31; + 2E localization.
Finally we describe the quantum structure of the
21 -3 a
unsymmetric, classical stationary solution. This structure has
been discussed in detail in Ref. [7] for a = 1. The two levels
of lowest energy within the nth sector are separated by a small
2 2 - 3 y - 2E energy difference AE. From a perturbation theory in small
E / Y , it was calculated that

3 0 -49 + 3E _
AE -
E
2n
(n - I)! y
(!)”-‘ + o (‘) 7 . (3.12)

+ -(I,J; I Numerical studies indicate [7] that: (i) The first term on the
2) - -( 0 , 3 )
right hand side of eq. (3.12) is an upper bond on AE/&,and
2$ 2$ (ii) This first term converges to AE/Efor increasing n. Thus
the first term gives a useful estimate of AE/Efor large n.
3 1 -49 +E The quantum representation of an unsymmetric mode is a
r
wave packet primarily composed of the two states of lowest
energy (and with order E / ? contributions from the other
n - 1 states in the sector). If initially localized on one degree
of freedom, this wave packet will remain localized for a time
that is inversely proportional to AE.
32 -4y - E
Proceeding just as in [7] for a 2 1, we find that eq. (3.12)
becomes

-AE
&
_ - (3.13)

where expressions for ll,(n) are listed in Table IV. From this
3 3 -4)- 3E
table it is seen that a conservative estimate of the denominator
r
polynomial is
1 rr n‘“- I)(!?- 1)
(3.14)
Thus we see that A E becomes very small with increasing a.
Physira Scripta 42
262 Alwyn C . Scott and Peter L. Christiansen
Table IV. Denominator polynomials appearing in eq. (3.13)
0 n“ (n)
This leads to a dramatic increase in the time that the quantum
wave packet of an unsymmetric solution remains localized.
4. Conclusions
In this paper we have investigated a new, nonlinear ode
system: the generalized discrete self-trapping (DST) equation
(1.1). Notice that the real constant y fixes the “strength” of
the nonlinearity while the non-negative integer 0 determines
its “degree”. Here we are primarily considering the dynamic
effects of varying 0.Specific results are the following.
(i) We have introduced two Hamiltonian formalisms for
the generalized DST system. One of them is a generalization
of the classical equations for the “Feynman top”.
(ii) We have discussed the structure and stability of
stationary solutions with increasing 0.
(iii) In the context of the Feynman top picture, we have
catalogued the functional representations of periodic solutions
with increasing 0.
(iv) The quantum structure of the problem has been related
to the oscillations of the Feynman top.
(v) The localization time for the quantum representation
of an unsymmetric stationary state has been shown to
increase dramatically with increasing 0.
Acknowledgments
We are pleased to acknowledge support from the National Science Found-
ation, the Air Force Office of Scientific Research, Julie Damms Studiefond,
Physica Scripta 42
and the Danish Technical Research Council. One of us (P.L.C.) express
thanks for the warm hospitality of the Institute of Mathematics and its
Applications, University of Minnesota (funds provided by the National
Science Foundation), the Program in Applied Mathematics, University of
Arizona, and the Center for Nonlinear Studies, Los Alamos National
Laboratory.
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