Theoretical and Mathematical Physics, Vol. 99, No.

1, 1994

SCATTERING OF CHARGED PARTICLES BY A MULTICENTER POTENTIAL

O. I. Gerasimov and A. G. Sitenko

Exact expressions are obtained for the amplitude and elastic cross section in the case of scattering of charged particles by a
multieenter pseudopotential that includes the Coulomb potential and an arbitrary number of short-range potentials (modeled by
zero-range potentials). Asymptotic limits are calculated and explicit expressions are found for the amplitudes of scattering by
few-nucleon complexes modeled by superpositions of the Coulomb potential and purely point potentials.

1. INTRODUCTION

It is well known that the study of particle scattering by complexes in the adiabatic approximation can be reduced to the
study of scattering by a multicenter potential. In the case of short-range forces, the interaction between the particles can be
described by means of a model pseudopotential with zero range, which was first introduced by Fermi to study the scattering
of nuetrons by few-nucleon nuclei [1]. The theory of proton--proton scattering at low energies with allowance for the Coulomb
potential and the short-range nuclear potential was developed by Landau and Smorodinskii [2--4]. The theory of scattering of
nucleons by the deuteron (a two-particle system) with allowance for the effects of multiple scattering was given by Brueckner
[5]. The model of a short-range pseudopotential was widely used in the studies of Denkov, Drukarev, and others (see, for
example, [6--18]) to describe interactions of electrons and ions with atoms and molecules in the case of scattering in plasmas
and in condensed media [8].
In this paper, we consider the problem of the scattering of a charged particle (for example, an electron or proton) by a
model system consisting of a scattering Coulomb potential and an arbitrary number of short-range potentials with given
distribution of their centers in the configuration space. As possible processes for which this model, with suitable conditions,
could be used as a description, we can mention: 1) scattering of protons at low energies by few-nucleon nuclei; 2) scattering
of electrons by complicated molecular ions; 3) scattering of electrons by ions, atoms, and molecules in a weakly ionized low-
temperature dense plasma or in condensed systems.

2. FORMULATION OF THE PROBLEM

We consider the elastic scattering of a monochromatic beam of charged particles with definite energy E (for example,
electrons) by a target that consists of a Coulomb center corresponding to a positive or negative ion and N neutral centers
corresponding to atoms or molecules. We assume that the potential of the interaction of the incident electron with a neutral
particle can be taken approximately in short-range form, i.e., that decreases over a distance less than the de Broglie wavelength,
so that it can be modeled by a zero-range (point) potential, and that the interaction with the single charged center is described
by the Coulomb potential. We shall assume that the parts of the target are structureless and at rest during the elementary
scattering event. Thus, at this stage we do not consider recoil effects during scattering associated with the proper motion of
the target particles, which, generally speaking, can be important at low energies of the incident electrons and large scattering
angles. These effects will be analyzed in our following paper.
Following the general theory of zero-range potentials [1,5,6], we write down the time-independent Schrrdinger equation
for the complete system consisting of the electron and target in the form of the Coulomb center and N neutral centers. Placing
the origin of the coordinate system at the center of the charged particle of the target, and using the Coulomb system of units,
in which the units of length and energy are, respectively, h2/me2Z-ac and me4Z2/h2 (m is the mass of the electron, e is its
charge, and Ze is the charge of the Coulomb center), we write the Schrrdinger equation in dimensionless variables in one of
its equivalent forms (we here use the exact equivalent representation of a point potential in the structure of the Schrrdinger
equation that was first used by Breit [5], see also [6]):

N. N. Bogolyubov Institute of Theoretical Physics, Ukranian Academy of Sciences; T. Shevchenko Kiev University.
Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 99, No. 1, pp. 81-91, April, 1994. Original article submitted
September 29, 1992; revision submitted July 27, 1993.

0040-5779/94/9901-0441512.50 9 Plenum Publishing Corporation 441

 ] q~(r'{II'}) = - 2 ~ r ZRa i' ~J( r)- N (l)
r j----1

where ~'/---Ir-Rj[; $~(r, {R}) is the total wave function of the system, which includes a parametric dependence on all the
coordinates {R} ---Rl . . . . . R N of the point potentials of the fixed neutral matrix; 6(r :- Rj) is the delta function. In general, Fxt.
(1) is not closed, since besides the unknown $~(r, {R}) it also contains the N unknown functions {$~(Rj, {R})}, j= 1, 2 .....
N, and without additionally imposed conditions belongs to the class of differential--difference equations.
Under the conditions of applicability of the method of zero-range pomntials, when the energy of the relative motion of the
particles -- the projectile and target -- can be assumed to be small compared with the depth of the potential well created by the
target (in the case of low-energy elastic scattering in which we are interested, this is precisely the adopted condition), study of
the total wave function $~(r, {R}) in the neighborhood of the point centers {R} can be approximately replaced by boundary
conditions that specify continuity of the logarithmic derivatives of ~'n at the points {R}, namely

1 0 i 1
rj ~, Ors (r~,)[~i -+o = ---aj = xi' (2)

where aj is the scattering length (and xj the reciprocal length) for scattering by the j-th center of small radius and is assumed
to be positive in the case of formation of a bound slate in the particle--target system and negative otherwise.
Equation (1) with the boundary condition (2) ensures a closed and correct formulation of the problem. In such an
approach, the description of the scattering and the asymptotic behaviors of the wave functions of both bound and virtual states
is provided by the complete set of parameters {x}, which (in the given model) replace knowledge of the true short-range
potentials.

3. GREEN'S FUNCTION. EXACT SOLUTION OF THE PROBLEM

We introduce the Green's function Gn(r, r'), which satisfies the SchrSdinger equation with Coulomb potential

(-~A" + a---- E) G~(r'r') (3)

For Green's function Gn(r, r') satisfying (3), Hostler and Pratt [19--22] obtained a closed analytic expression using harmonics
in the form

Gn(r,r')= r(1-y) ( O 0 ) (4)

27r[r--r'T[ O~kx O-~y W'7'~(-ikx)in,89 (-iky)'
where

z = r+r'+lr-r'l; y = r+r'-lr-r'l; r/ = -a-~; a : :t:1;

F(1-7/) is the gamma function; W~,~,~(-ik~) and M~.vl(-iky) are Whittaker functions. By means of the Green's function (4),
Eq. (1) can be solved exactly; we shall seek the solution in the form
N
9 ,(r, {R}) = r (r) + Rj), (S)
j=l
where

r = e- " r(1 - o)eikrr(n, I, i(kr - kr)) (6)

is the Coulomb wave function of the continuous spectrum corresponding to an outgoing spherical wave at infinity ( a = 1
corresponds to repulsion, ot = - 1 to attraction in the Coulomb interaction); F(T/, l, i(kr-kr)) is the confluent hypergeometric
function. The coefficients {~',I(Rj, {R})} are determined by the solutions of the system of algebraic equations obtained by
successive substitution of (5) in (2):

(7)
i#k
The solutions of the system (7) have the form

442
 ~,(Rj, {R}) = ~~J~, j = 1,2,...,N, (8)

where An and Ajn denote, respectively, the principal and j-th ancillary determinant of the system (7) and in explicit form for
each j are determined by the expressions
~,(~) + x~ 2rG,(R~, R2) ... 2~'G,~(R1, RN)
2~rGv(R~, R~) ... 2~rG,~(R2, RN)

: : :
2~rG,~(RN,RI) 2~rG,~(RN,R~) ... ~,~(RN) + XN
(9)
~,(R~)+ ~ ... -~,~r ... 2~G~(R~, RN)
2~rG,(R~,R1) ... -2~rr ... 2~G, (R2, R ~ )
:
Ain =
: : :

2~rG,(RN,R~) ... -2~rr ... ~,(RN)+XN

,9
~n ( Rj ) = 2r-~rj r j Gn (r, R i) 'rj (lo)
--r

In obtaining (9), we have taken into account the factor that

G,~(r,R)Ir_+R -+ ~ and r~o~-~r

+ r~o "-+ 0.

By means of (8) and (9), we write down the first few amplitude coefficients (8), which will be used in what follows,
namely
r
~,(R~, R2) = -2,r
m + G(R~)'

r + ~,7(R2)]- 2rf~+(R2)G,7(R1, R~)

if, (a~; R1, R~) = -~" [,,1 + r (R~)] [,'2 + ~, (R~)] - (~,~)~G, (R~, R2)G, (as, P~)'

r + ~,(R1)] - 27rr RI)

~, (R~ ;RI, R2) = -2~r [xl + ~, (RI)][x2 + ~, (R~)] -" (2~r)~G, (RI, R2)G, (R2, R,')' (1i)

D0)(RI"R~'R3)
~(R1;RI,R2,R3) = D(O)(RI,R~,Ra), ~,(R~;RI,R2,R3) = D(O)(RI,R2 ,R3) ,

D(~a)(R1, R2, It3)

~,(a3; al, a2, a3) = D(O)(Rz, R:, R3)
etc., where

r 2~a,(R,,a~) 2.G,(Rl,lr
D(1)(R1,R~,Ra) = r ~,(R2)+x2 2~rGv(R2,R3 )
r 2,~G.(Rz,It2) ~.(Rs) +,.3

~.(R,) +,.1 r 2~G.(R1,R3)

D~2)(R1,R2,Ra)= 2~'G,~(R2,IZ1) r 2~rG,7(R2,R3)
2~rG,(R3,R1) r ~,(R3) +,,3

(12)

443
 2~rG,7(Rt,R2) r
D(a)(R1, R2, Ra) = 12~G,(R,, R,)
{ 21rGn (Ra, R1 ) 2~V,(R3, a~) r

~n(R1) + x~ 27rGn(RI,R2) 2~rGn(R~,Ra)]

O(~~ = 27rG,(R2,Rt) ~,~(R2)+ x ~ 2,Gn(R~,Ra) .
2~rG~(Ra, Rz) 2~Gn(Ra, R2) ~,(Ra) + ~r t
We emphasize that in the framework of the adopted model of a mulficenter pseudopotential the relations (5), (8), (9), and (11)
are obtained without any restrictions and thus give the exact solution of the problem (1)--(2).
We note also that the use of boundary conditions in the form (2) together with the preservation of the inbomogeneity of
the original SchrSdinger equation that is generated by the point multieenter potential is a necessary element in obtaining the exact
solution (1). As in the case of a unit zero-range potential (see [5,6]), the use of singular short-range potentials in the multicenter
model has the consequence that a wave function $(r, {R}) satisfying (1) and (2) contains a sequence of unphysical singularities
at the points r = {R}. This limitation of the model does not introduce serious complications, since in physical problems $(r,
{R}) is usually determined outside neighborhoods of {R} that have an extension greater than the range of, say, the nuclear
forces. At the same time, since within these neighborhoods the wave function changes little, the boundary conditions (2), which
relate to the boundaries of the neighborhoods, are extrapolated approximately to the points r={R}. In the study of the
asymptotic behavior of the total wave function this limitation of the model does not show up.

4. SCATTERING AMPLITUDE

We now determine the amplitude for scattering by the considered mulficenter target. For this, we find the fragment of
the asymptotic (r--~oo) behavior of the exact wave function (5) that determines the wave function *p~ of the scattered charged
particle. Using the well-known asymptotic properties of the Whittaker functions [23,24]:

(13)

and restricting ourselves to the following approximate expressions for the arguments x and y: x = 2 r , y = R ( l +cos co), where
o~ is the angle formed by the vectors r and R, we obtain for the Green's function Gn(r, R) the asymptotic expression

a,(r, R)[,._,~ = ~-9o,"

~, r(1 - ,7).--.,(n, ~)exp(ikr + 1/In 2kr)/r, (14)

where

= , (-ikR0 +r + cos0.)), M' = (15)

r/, 2

Using for the asymptotic behavior of the Coulomb wave function of the continuous spectrum the well-known expression

r (rLr_,
I.. I+ ,.

where

fe(O) =
1 (
1"(1 - o) exp 2r/Insin ~
2k 3 sin 2 ~ r(1 + t?)
') (17)

is the amplitude for scattering in the Coulomb field, and t9 is the scattering angle, we write down by means of (5) the asymptotic
behavior of the wave function containing only an outgoing spherical Coulomb wave (the so-called scattered wave) */to in the
form

*vn (r; {R}) = (f,(0) + fc;1 ..... N) exp(ikr + T/In2kr)/r. (18)

We have here introduced the notation
N
L;~ ..... N = Y~ L;,, (19)
j=l

444
 1 _O~rr
A;: = ~ e ~r(1 - r/)~,(Rj ;{R})E,(Ri,wi). (20)

We emphasize that in (18)--(20)fc;1 ..... N is not a binary-additive quantity, i.e., consisting of summed amplitudes describing
scattering by all possible pairs of the type of a Coulomb potential plus a point potential of the (N+ 1)-particle ensemble, since
the amplitude functions ~',(Rj; {R}) are determined at once for the complete ensemble of N + 1 particles. At the same time,
it is obvious thatfc.1 ..... N can be called the amplitude for scattering by an N-particle complex of zero-range potentials distorted
by the presence of the Coulomb center. As a consequence, the total amplitude in (18) is not equal to either the purely Coulomb
fc(O) or the amplitude for scattering by the separately taken system of point potentials.
We point out here a property of the amplitude fc;] ..... N that is important for practical applications. This is its complete
factorization with respect to the full set of possible angle variables: o:j= / (r, Rj), ej= L (k, Rj), and the scattering angle 0.
Using (19), (15), (11), and (12), we write down explicit expressions for the amplitudes for scattering by the following few-
particle complexes: Coulomb center plus a point center at the point R 1 (fc;1); Coulomb center and a pair of point potentials with
centers at the points R 1 and R 2 (fc;l,2); C o u l o m b center and triplet of point potentials at the points R1, R2, and R3o They have
the form

_
(21)

(22)

/e;1,~,3 = e - "~~ r ( 1 - r/) { D ( I)(RI,R2, R3)E~(RI,wl) + D(~)(R1 ,R2,R3)E~(R2,w2)

(23)

5. LIMITING VALUES OF THE SCATTERING AMPLITUDE

It is interesting to consider the limiting expressions of the obtained rigorous expressions (18)--(23) and compare them with
the well-known relations of scattering theory, and also to obtain on the basis of (22) and (23) new expressions for the amplitudes
for scattering by complexes of a necessary number of centers, including both a purely Coulomb potential and a Coulomb--point
potential (Coulomb potential and zero-range potential at one and the same center). Thus, in the limit R 1 >>l (l is the
characteristic scale of the system) the expression (21) (which gives the amplitude for scattering by a complex consisting of a
Coulomb center and a zero-range potential shifted relative to each other by the vector RI) can, if we use the well-known
properties of the Whittaker functions [23,24]

1 ~-z - , 1 lz _,
M ,89 _ r(1-,7) e2 z ; 2r(f--,7) e2 z ; Izl (24)

and also the representation of the function +n(R) (10) in the form (which follows from the structure of the equation for the
Whittaker functions [23,24])

~n(R) = 2ar(-rj)((-1 + 2_~2R)Wn,~(_2ikR)Mn,~(_2ikR)+ IV' ~(-2ikR)M' ~(-2ikR)~, (25)

be reduced after manipulations to the expression

445
 fe;l=_(~+ik)_lexp[ikR(eos.~ - 1 + ~ s w ) - r/lnkR(1- eos~)] . (26)

It follows from (26) that in the limit kR.~ 1 (R~./), with Coulomb interaction switched off, 1/kac=0, fc;~ goes over into the
amplitude for scattering by an isolated unit 6 function, namely

1
fl = - x + i'"~' (27)

In the general ease, since fc;1 complements the amplitude of purely Coulomb scattering to the complete amplitude for
scattering by the complex, the influence of the Coulomb field distorts the amplitude for scattering by the 5 center at arbitrarily
large relative distances.
Similarly, considering the limit R 1, R2 ~. l (R 1- R 2 -~R is fixed) in the expression (22), and calculating by means of (4),
(13), and (24) the limit R 1, R2~.l, R 1- R 2 m R in Gn(R l, R2), namely
1 e ikR
Gn(RI'R2) al,a2~l = 21r R ' (28)
RI -R2~R
w e obtain for the amplitudefc;L 2 for scattering by a pair of 6 centers in a Coulomb field

re;x,2 ----- { [~~ + ik) - ~ o . ( ~ , ) ~ - l exp [-5ik/~(i

1 "~ COS~JI)-- . In k/~1(i q- COSt01)]

ei k R .i

- r/In kRz(1 + cosw2) (xl + ik)(x2 + ik) - ~ j , (29)

~on (ei) = exp (ikt~ cos ej - r/In kR i (1 - cos ej )). (30)

It follows from (29) and (30) that in the limit kRj.~ 1 (Rill), R 1- R 2 m R fixed, with the Coulomb potential switched off,
1/kac=0, fc;1,2 is determined by an expression of the form
eikR
fl,~ = (xl +ik)+(x2+ik)-2 ~- , (31)
(xl + ik)(~2 + ik) - -'k-'r-
.~,kR
which for x m X1=X 2 does over into Brueekner's well-known formula [5--7]
2
e,kR. (32)
fx,2= x + ik + -'W-
We now consider the RI---~Olimit in the expression (21) forfc;l, using the well-known properties of the Whittaker functions
Mn,,.~(z) in the limit [z[--~-[23,24], namely
M.,~(z) ~ z; M~,~(x) = 1; [zI --+ 0. (33)
From (21), (26), and (6), we obtain

2r r(1 - o ) 1 r
fe=l=~k (l+rl) 1-e~r (34)
where

{.(0) = - r ( 1 - r/) !im O W. t(-2ikR). (35)

~t--+00/~ "' 2

We note that from the expression (35) there follows a renormalization of the scattering length x that is exactly the same as the
one described in the theory of Landau and Smorodinskii (see [2--4]).
Making similar limiting processes R1--.0 (RI-R2-=R, R 1-R3-=R' fixed in the expressions for the amplitudes for
scattering by complexes consisting of a Coulomb center plus a pair and triplet of 5 centers, repsectively), we obtain forfc = 1,2
andfc=l,2, 3 the expressions

446
 re=l,2 = e-- ~ r ( 1 - o) ie ~k r(1 - 0)[~,2 + 5.(R)]

- 2rr (R)G,(R) + [r (R)(xl. + ~n (0)) - 2re-"'--2k Gn (R)]

X ~vt(R, ~ ' ) } / { [~'r q" ~(0)][M2 -~"~ ( n ) ] - (2r)2G2(R)}, (36)

: e--~ 7r
f,=,,2,a ~F(1-rl)~D;,1)(R,R')+D;,>(R,R')En(R,w)+ D~)(R,R')E,(R',w')]/Dr
f r t2 r3 1. to
(37)

where
Wn,89
Gn(R ) = lim
r--*0
G,(r, R) 1~r(1
=
~n-
- 7)
R
D~J)(R, R') = tim D(~/)(r, R,R').
r--~0

We note (returning to dimensional variables) that by going to the limit 1/kac-*O

subject to kRj,~ 1, the expressions of Rff>t
Fermi, (27), and Brueckner, (31), can be obtained from (34) and (36), respectively.
Similar limits can be readily calculated using a similar scheme for the amplitudes for scattering by more complicatec
complexes. The relations (34), (36), and (37) extend the possibilities of rigorous quantum-mechanical description of elastic low
energy scattering of charged particles by few-particle complexes that model composite Coulomb--point pseudopotentials as
compared with the well-known theories.

6. DIFFERENTIAL SCATTERING CROSS SECTION

The differential scattering cross section do/df],defined by

do" = i f c -~- fc;1 ..... U] 2, (38)
df~
must, because of the multicenter nature of the potential, be averaged over the complete ensemble of all possible configurations
of structureless particles. Denoting the result by (da/dg),
we perform this averaging by expanding the averaged cross section
(do/dl2) in a correlation series, each individually taken term of which ofp-th rank describes the irreducible contribution to the
total cross section from the scattering by a fluctuation complex (Coulomb center plus p - 1 point centers) averaged with
irreducible distribution function F(pcd
..... P - IXRI . . . . . Re - l) ofp-th order, namely
<d(r) N N(N-I)'"(N-p+I)/ / { ~'~-1 ~ t2
p=l _ _

+2Re AY~'~(A,i-ft) c~1 . . . . . P-1)(R1,...,Rp-1)dR1..dR~_l, (39)

j=l
where the amplitudes {fc;]} and {fj} are determined by the expressions (20) and (27), respectively.
We note, first, that because of the complicated functional dependence of the functions {F(Cd......
p-l)} on the particle
number density the double irreducible series (38) is not a series in powers of the density. Second, in many physical problems
(of type similar to those listed in Sec. 1) the series converges, rapidly moreover [27], and this makes it possible to make a
restriction in the calculation of its sum to a finite number of terms; in fact, it is often sufficient to take the terms of second rank
in the correlations.
In the case of purely quantum target systems, for example, the deuteron, triton, objects of nuclear matter, helium, the
irreducible distribution functions can be determined from measurements or additional calculations of nuclear form factors [25].
In this case, the relation (39) makes it possible to find the scattering lengths for scattering by nucleons using data on
measurements of the cross section for different values of the parameters.
For classical systems, the distribution functions can be extracted from experiments to measure the static structure factors
in neutron or x-ray scattering or determined by the solutions of the many-particle equations of the statistical theory of gases,
liquids, and plasmas [26], or, finally, modeled [27]. In this case, (39) establishes, on the one hand, an integral relationship
between the cross sections for scattering of electrons and neutrons or x rays; on the other hand, it makes it possible to describe
the dependence of the cross section on the thermodynamic parameters: the density and temperature. In both cases of classical

447
and quantum systems, solution by means of (39) of the inverse problem of recovering the measure of the target state
{Fp(C;1..... p-l)} makes it possible in principle to determine its structural and thermodynamic, and also atomic parameters from
measurements of the electron scattering cross sections.
The results of this study can be used to study the scattering of slow charged particles by low-dimensional adatom
complexes, which provide the basis of nanoelectronic circuit technology [28,29], and also the investigation of the spectral
properties of nucleon and atom--molecule clusters.

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