UNIVERSIDAD DE PUERTO RICO EN HUMACAO
www.uprh.edu

 

 

 

LECTURES ON QUANTUM MECHANICS

by Reinaldo Baretti Machín

 

Chapter 4.  Potential Barriers

 

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References:

 

 1. Principles of quantum mechanics; nonrelativistic wave mechanics with illustrative applications.  

by W. V. Houston

 

2. Introduction to Quantum Mechanics with Applications to Chemistry by Linus Pauling and E. Bright Wilson Jr.

 

3. Quantum Mechanics: Non-Relativistic Theory, Volume 3, Third Edition (Quantum Mechanics) by L. D. Landau and L. M. Lifshitz

 

4.Wikipedia   http://en.wikipedia.org/wiki/Old_quantum_theory

 

5. The Rise of the New Physics ** 2 Volumes Complete** by A. D'Abro

 

6. Foundations of Physics by Robert B. Lindsay , Henry Margenau

 

7. LECTURES ON QUANTUM MECHANICS by Gordon Baym

 

 8. Wave Mechanics (Vol. 5 of Pauli Lectures on Physics) (Pauli Lectures on Physics Volume 5)

 

 

FREE DOWNLOAD FORTRAN-FORCE 2.0.8

 

 

The subject of  potential barriers has to do with finding the reflection and transmission properties of particles through potential walls. The energy is given , it is not an unknown. The basic solutions are either exponentials with imaginary arguments like  exp(+ikx) ,

exp(-ikx) , or real exponentials  exp(-kx) , exp(+kx) .

 

Our first example is that of a step potential of height V . Two cases will be considered , That of E < V where particles come from the left to the right  and the case when E >V .

Fig 4.1

The energy is given , this is not an eigenvalue problem. We want to find the solutions Ψ in the two regions and the transmission and /or reflection characteristics.  Schrodinger equation for each region is

                                   

                                                      d2 Ψ1 /dx2 = -(2mE/h'2 ) Ψ1     ,   x ≤ 0     (1)

and                                                 d2 Ψ2 /dx2 = {2m(V-E)/h'2 } Ψ2  , x ≥ 0 .   (2)

 

The region x>0 is classically forbidden beacause  there E < V and therefore the kinetic energy T = E-V would be negative.

 

It is required that at the boundary (x=0) 

                                                           Ψ1 (0) = Ψ2 (0)            ,                (3)

                                                      (dΨ1 /dx)x=0 = (dΨ2 /dx )x=0        .      (4)

 

Define two wave numbers   k1 = (2mE/h'2 )1/2 and  k2 = {2m(V-E)/h'2 }1/2  .

 

The general solutions of   (1) and (3) are  

                                          Ψ1 (x) = A exp( +ik1x ) + B exp( -ik1x )             (5)

 

If we wish to write the time dependent function , it is

                                    Ψ1 (x,t) = A exp( +i(k1x-ωt)  ) + B exp( -i(k1x +ωt ) ) . (6)

The term ~ A is a plane wave traveling to the right and the term ~ B is travelling to the left.

 

 

Given that the probability current density is  J = (ih'/(2m)){ Ψ ∂ Ψ* /∂x  -  Ψ* ∂ Ψ /∂x } (see eq.59 Chap 3) we apply it to Aexp(ik1 x).

One obtains  J= (ih'/(2m)) {  A exp( ik1 x) ( -ik1)  A* exp( -ik1 x) - A* exp( -ik1 x) (ik1 )Aexp(ik1 x) }

                    = ( hk1/m) A A* = (p/m) A A* = v A A* ~ 1/time                       (7)

Eq. (7) represents the flux of particles travelling to the right. So Jright = v A A* and the flux of particles reflected and travelling to the left is obtained changing p→ -p in (7) , therefore 

                                                         Jleft = -v B B*                           .    (8)

 

 

For x > 0 the mathematical solutions are

                                          Ψ2 (x) = C exp( - k2x ) + D exp( + k2x )               .   (9 )

 

One must set D = 0 otherwise the solution diverges as x → ∞ , leaving

                                             Ψ2 (x) = C exp( - k2x )                                   . ( 10  )

The flux of Ψ2 (x) is zero as seen immediately from

                       J = (ih'/(2m)){ Ψ ∂ Ψ* /∂x  -  Ψ* ∂ Ψ /∂x}

                         = (ih'/(2m)){  C exp( - k2x )(-k 2C*exp exp(-k2 x) )  -  C* exp(-k2 x) (- k 2Cexp exp(-k2 x) ) }

                               =  (ih'/(2m)) { - k2 C C* exp(-2k2 x)   +  k2 C C* exp(-2k2 x) } = 0 .

 

This means that while there is a probability of finding the particle in the region x>0 ( classically frobidden) , there is no net flux.

Another implication is that Jright + Jleft = 0   that is,  A A* = B B* .

 

From letting C= 1 and applying the conditions of continuity , eqs 3-4,  it follows that

 

                                            A +  B = 1                                      ,   (11)

                                      ik1 (A - B) = -k2                                    ,  (12)

whence                     

                                          A = (1/2) ( 1 +i k2 /k1)                       (13)

                                          B=  (1/2) (1 - ik2 /k1 )         .              (14)

Notice that A= B* when E<V  . Substitution  of     (13) , (14)  in (5)  gives ,

 

                                          Ψ1 (x) = cos(k1x) - (k2 /k1) sin (k1x)     for    x < 0  (15)

and                                      Ψ2 (x)= exp(-k2 x)            ,     x > 0 .          (16)          

Example 4.1 : Let V=1 , E= (1/2) V = 1/2 . Then k1 = (2E)1/2 = 1   , k2 =(2(V-E))1/2 = 1.

Taking another look at Ψ1 (x) = cos(k1x) - (k2 /k1) sin (k1x)  (a real function) we conclude that the current density is J=0.

 

 

 Fig. 4-2 . Psi in the case in which E=V/2. 

 

FORTRAN code for Fig 4.1 

c plot of psi for potential barrier E < V
real k1,k2
data k1,k2/1.,1./
data xi,xf,nx/-7.,3.,70/
dx=(xf-xi)/float(nx)
do 10 i=0,nx
x=xi+dx*float(i)
print 100,x,psi(k1,k2,x)
10 continue
100 format('x,psi=',2(3x,e10.3))
stop
end

function psi(k1,k2,x)
real k1,k2
if(x.lt.0.)psi=cos(k1*x)-(k2 /k1)*sin(k1*x)
if(x.ge.0.)psi=exp(-k2*x)
return
end

                                

 

Numerical solution of equations (1) and (2). The FORTRAN code given below integrates the DE using finite differences.

 

It starts at x= 0 with the initial values,  psi0=1. and  psi1=psi0 + dx*(-k2*psi0).

Then  

                        psi2=2.*psi1-psi0 -dx**2*(2.*E*psi1)               x < 0

and

                        psi2=2.*psi1-psi0 -dx**2*{2.*(E-V)*psi1}        x>0 .

 

dx or ∆x has to be small relative to the Length scale which happens to be    Lscale =(h'2 /(mE) )1/2 = 1/E1/2 .

                     

 

 

 

          Fig 4-3. Numerical integration of Schrodinger's equation.   

 

 

 

 

                            

   Fig 4-3 b . Plot of  Psi2 .                               

 

FORTRAN code for the numerical integration

c plot of psi for potential barrier E < V
real k1,k2
data E,V/.5,1./
data xi,xf,nx/0.,3.,1000/
k1=sqrt(2.*E)
k2=sqrt(2.*(V-E))
dx=(xf-xi)/float(nx)
kp=int(float(nx)/40)
kount=kp
psi0=1.
psi1=psi0+dx*(-k2*psi0)
print 100,xi,psi0
do 10 i=0,nx
x=xi+dx*float(i)
psi2=2.*psi1-psi0 -dx**2*d2(psi1,x-dx,E,V)
if(i.eq.kount)then
print 100,x,psi2
kount=kount+kp
endif
psi0=psi1
psi1=psi2
10 continue
100 format('x,psi=',2(3x,e10.3))
stop
end

function d2(psi,x,E,V)
if(x.lt.0.)d2= 2.*E*psi
if(x.ge.0.)d2=2.*(E-V)*psi
return
end

 

 

 

The coefficients A , B can be determined from the plot 4-3.

 

It is sufficient to establish two equations .

Let x1 =0   the   Ψ (0) = 1 = A  + B  and reading any other value from the graph ,for an arbitrary x2 one has the second equation

 Ψ (x2) = A exp(ik1 x2 )  + B exp(-ik1 x2) . So A and B are found using the numerical values of Ψ(x). This numerical approach will prove to be useful when we examine the tunneling effect.

 

 

Results A(theoretical) = (1/2) ( 1 +i k2 /k1)   , B (theoretical) = (1/2) ( 1 -i k2 /k1) .  

Ath,Bth= 0.500E+00 0.500E+00 0.500E+00 -0.500E+00
A,B= 0.500E+00 0.509E+00 0.500E+00 -0.509E+00

 

 

 real k1,k2
complex psi1, psi2 ,rooti ,A, B , Atheor, Btheor
c print*,'input : E, x1,x2 '
c read*,E , x1,x2
c print*,'psi1,psi2 '
c read*,psi1,psi2
data E,V,x1,x2/0.5,1.,0.,-1.05/
psi1=1.
psi2=1.38
k1=sqrt(2.*E)
k2=sqrt(2.*(V-E))
rooti=cmplx(0.,1.)
Atheor= (1./2.)*( 1. +rooti*k2/k1)
Btheor= (1./2.)*( 1. -rooti*k2/k1)
A=(psi1*exp(-rooti*k1*x2)-psi2*exp(-rooti*k1*x1))/
$(exp(rooti*k1*(x1-x2))-exp(rooti*k1*(x2-x1)))
B=(psi2*exp(rooti*k1*x1)-psi1*exp(rooti*k1*x2) )/
$(2.*rooti*sin(k1*(x1-x2)) )
print 100, atheor,btheor
print 110 ,a,b
100 format('Ath,Bth=',4(3x,e10.3))
110 format('A,B=',4(3x,e10.3))
stop
end
 

 


                                                            

 

The case of E > V in fig 4-1 is considered next.

Let

 

                           k1 = (2mE/h'2 )1/2 and  k2 = {2m(E-V)/h'2 }1/2         .    (17)

In our units            k1 = (2E )1/2 ,  k2 = {2(E-V) }1/2 .

We assume again that the original flux comes from the left toward the right hand side of the X axis. Ψ1 (x) has the same form as before

                                   Ψ1 (x) = A exp( +ik1x  ) + B exp( -ik1x )         .   (18)

 

Ψ2 (x) has the general form  Ψ2 (x) = C exp( +ik2x  ) + D exp( -ik2x )  but we must set D=0 because it represents waves traveleing from

+ infinity to the left along the X axis. Accordingly

 

                                           Ψ2 (x) = C exp( +ik2x  )       .                 (19)

Just as  before we have two continuity equations at the orgin (x=0) ,see eqs (3) -(4) , and three coefficients. Therefore, one of them is arbitrary.Let A=1 ,then the continuity equations give

                                        1 + B = C                   ,            (20-a)

                                   ik1( 1-B) = ik2 C              .            (20-b)

 

One gets

                                       B = (k1- k2) /((k1+ k2)                 (21)

                                       C= 2k1/(k1+ k2 )                            .  (22)

 

We define the reflection coefficient ,R, as

                                          R = B B*  /(A A* )   =   (k1- k2)2 /((k1+ k2) 2    .   (23)

The transmission coefficient is  T= CC*  /(A A* ) = 1- R = { 2k1/(k1+ k2 ) }2  .  (24)

 

                             

Alternatively we can set C=1 in (19) and then  the continuity conditions at x=0 give,

 

                                                          

                                   A + B = 1                   ,                (25-a)

                                   ik1( A-B) = ik2               ,             (25-b)

resulting in           

                                          A = (k1 + k2) /( 2k1 )          ,      (26)

 

                                          B = (k1 -k2)/( 2k1 )             .     (27)

 

Notice that A and B are real in the case E>V. Of course  the same coefficients T and R result from (26 ) and (27). we have ,

 

 

T = CC*  /(A A* ) = 1/A2 = { 2k1/(k1+ k2 ) }2                  ,   (28)

and  R= B B*  /(A A*  ) =  (k1- k2)2 /(k1+ k2) 2     .           (29)

Since p = h'k , the coefficients T and R can be expressed in terms of linear momentum,

 

T = { 2p1/(p1+ p2 ) }2  ,  R =  (p1- p2)2 /(p1+ p2) 2  .

 

                       

 

 

 

Fig 4-4 Plot of Psi for E=2V=2 .

The current density is J = (ih'/(2m)){ Ψ ∂ Ψ* /∂x  -  Ψ* ∂ Ψ /∂x} = 1.41 , as seen from the numerical calculation given next.

 

 x0,Real(j) Img(j)= -3. 1.41422522 -1.40756686E-008
x0,Real(j) Img(j)= 3. 1.41425657 1.78077215E-008

 

That is, the net flux on the left (x= -3) is equal to the flux on the right (x= +3.) ,namely 1.41 /time  .

 

 

 

 

Fig 4-5 .  Plot of  Psi**2.

 

Since A and B are real when E > V we can relate the coefficients A and B to the maxima and minima of  Ψ(x)2 .

We have

                                                Ψ(x)2 = A2 + B2 + 2 AB cos(2k1 x)               .  (30)

The maxima and minima are

                                           
                                                Ψ(x)2 max.  =  (A+B)2             ,                     (31)

                                                 Ψ(x)2 min.  =  (A-B)2          .                         (32)

Therefore         

                                   A =(1/2) {  (Ψ(x)2 max. )1/2 +   (Ψ(x)2 min. )1/2 }   ,      (33)

and                              B =(1/2) {  (Ψ(x)2 max. )1/2 -   (Ψ(x)2 min. )1/2 }     .    (34)

 

Example: find A and B using Fig 4-5. We see that   Ψ(x)2 max. =1 and     Ψ(x)2 min.=0.5.

Eqs (33) and (34)  give  A =0.853   and  B=0.146 . We corroborate these values using (26) and (27) .Given that E=2 and V=1 the values of k1 and k2 are , k1 = 2  , k2 = 21/2 and   substitute them in (26)-( 27).

                                              

FORTRAN code

c plot of psi for potential barrier E > V

real k1,k2
complex psi,rooti ,aj
dimension Psi(0:5000)
data E,V/2.,1./
data xi,xf,nx/0.,6.,2000/
rooti=cmplx(0.,1.)
k1=sqrt(2.*E)
k2=sqrt(2.*(E-V))
dx=(xf-xi)/float(nx)
kp=int(float(nx)/40)
kount=kp
psi(0)=1.
psi(1)=psi(0)+dx*rooti*k2*psi(0)
print 100,xi,Real(psi(0)),aimag(psi(0))
do 10 i=2,nx
x=xi+dx*float(i)
if(x.le.0.)psi(i)=2.*psi(i-1)-psi(i-2) -dx**2*(2.*E)*psi(i-1)
if(x.gt.0.)psi(i)=2.*psi(i-1)-psi(i-2) -dx**2*(2.*(E-V))*psi(i-1)
if(i.eq.kount)then
print 100,x, real(psi(i)), aimag(psi(i))
kount=kount+kp
endif
10 continue
100 format('x,Re(psi), Im(psi)=',3(3x,e10.3))
print*,' '
x0=-3.
call density(x0,xi,dx,psi,raj,aimgaj)
print*,'x0,Real(j) Img(j)=',x0,raj,aimgaj
x0=+3.
call density(x0,xi,dx,psi,raj,aimgaj)
print*,'x0,Real(j) Img(j)=',x0,raj,aimgaj
stop
end


subroutine density(x0,xi,dx,psi,raj,aimgaj)
complex ajj , rooti,psi,dpsi
dimension Psi(0:5000)
rooti=cmplx(0.,1.)
i=int((x0-xi)/dx)
dpsi=(psi(i)-psi(i-1))/dx
raj=real( (rooti/2.)*( psi(i)*conjg(dpsi)-conjg(psi(i))*dpsi ) )
aimgaj=aimag((rooti/2.)*( psi(i)*conjg(dpsi)-conjg(psi(i))*dpsi) )
return
end






TUNNELING

 

Fig 4-6 . A flux of particles is incident from the left.

 

Particles with energy E < V have a probability of penetrating to the region x>a . This is called tunneling. One example of  is the decay of alpha particles. Another is the conduction current between two metals separated by an insulator (a non conductor) ,see figure below.


Fig 4-7

 

The wave functions in the different regions are ( as before ,k=  (2.*E)1/2   , k2=  (2.*(V-E) )1/2    ),

 

for x < 0   ,        Ψ 1(x) = A exp(i kx) + B exp(-ikx) ,        (35)

 

for  0 < x < a ,    Ψ 2(x) = Cexp(- k2 x) + D exp(+k2 x)  ,   (36)

 

for x > a ,          Ψ 3(x) = E exp(i k x) .                            (37)

we will set E=1. The constantsA, B , C and D are determined from the conditions of continuity of

Ψ and  d Ψ /dx  at the points x= 0 and a .

 

At x=a one has  the linear system,

                             

                               exp(- k2 x) C + exp(+k2 x) D   =   exp(i ka)      (38)

 

                      k2 {- exp(- k2 x) C + exp(+k2 x) D } = ik exp(ika)     (39)

 

Solving for c and D gives,

C == 1/2*(-I*k + k2)*e^(I*a*k + a*k2)/k2   ,       D == 1/2*(I*k + k2)*e^(I*a*k- a*k2)/k2 .   (40)

 

 

 

 

SAGE code

C,D,k2,k,a=var('C,D,k2,k,a')
solve([e^(-k2*a)*C+e^(k2*a)*D==e^(I*k*a),-k2*e^(-k2*a)*C+k2*e^(k2*a)*D==I*k*e^(I*k*a)],C,D)

[[C == 1/2*(-I*k + k2)*e^(I*a*k + a*k2)/k2, D == 1/2*(I*k + k2)*e^(I*a*k
- a*k2)/k2]]
[[C == 1/2*(-I*k + k2)*e^(I*a*k + a*k2)/k2, D == 1/2*(I*k + k2)*e^(I*a*k - a*k2)/k2]]
 

 

 

At x=0 the continuity conditions yield

 

              A + B = C+ D             ,                   (41)

 

            ik(A-B) = k2 ( -C+ D)       .               (42)

 

Solving for A in terms of C and D as given in (40) one obtains

 

A =  { (k+ik2)(-ik+k2) exp(iak+ak2) + (k-ik2)(ik+k2) exp(iak-ak2) } /(4kk2)  .  (43)

 

The transmission coefficient is a function of E and V and is given by

 

 T = k E* E /(k A* A) = 1/ (A* A)                                                            . (44)

 

The expression for T if manipulated algebraically gives ( see refs. 3 and 7)

 T(E)=4.*(k*k2)**2/((k**2+k2**2)**2*sinh(a*k2)**2+4.*(k*k2)**2 )      .   (45)

 

 

 

 

 

Fig 4-8. Transmission coefficient versus the ratio E/V ,  for a barrier of width a=1.

 

Fortran code

c tunneling coef
real k,k2
complex acoef,a1,a2,rooti
data a,Ei, Ef,ne,V/1. ,0.,1.,60,1./
D(e)=4.*(k*k2)**2/((k**2+k2**2)**2*sinh(a*k2)**2+4.*(k*k2)**2 )
rooti=cmplx(0.,1.)
de=(Ef-ei)/float(ne)
do 10 ie=0,ne
e=ei+de*float(ie)
k = (2.*E)**(1./2.)
k2 =(2.*(V-E))**(1./2.)
a1=(1./(4.*k2*k))*(k+rooti*k2)*(-rooti*k+k2)*exp(rooti*a*k+a*k2)
a2=(1./(4.*k2*k))*(k-rooti*k2)*(rooti*k+k2)*exp(rooti*a*k-a*k2)
acoef=a1+a2
print 100,E/V,D(E),1./abs(acoef)**2
10 continue
100 format('E/V,D,1./A**2=',3(3x,e10.3))
stop
end

 

Now we will cast the problem of the transmission coefficient  as a numerical problem. Schrodinger's equation is solved

 

by the finite difference method where  Ψn  is obtained from the two previous values  Ψn-1 and  Ψn-2 ,

                                 

i.e.                         psi2=2.*psi1-psi0 -dx**2*{2.*(E-V)*psi1}                           ,

 

starting at x=a   where   Ψ(a) = E exp(ika) = exp(ika)  and  the derivative is dΨ(a) /dx = ik exp(ika)  .

One integrates backwards towards x=0 . At that point    A + B = Ψ(0) and ik(A-B) = dΨ(0) /dx , whence

 

                                    A = (1/2) { Ψ(0) -(i/k) dΨ(0) /dx }                                 (46)

 

 

 

Fig 4-9. Transmission coefficient by numerical integration of Schrodinger equation.

 

The pertinent FORTRAN code is given below.

 

c FORTRAN code for the numerical integration
c tunneling for E < V , backward integration
real k,k2
complex psi2,psi1,psi0,rooti,deriv ,acoef
data a,Ei,Ef,V/1.,0.,1.,1./
data ne,nx/40,1000/
rooti=cmplx(0.,1.)
xi=a
xf=0.
de=(ef-ei)/float(ne)
dx=(xf-xi)/float(nx)
kp=int(float(nx)/40)
kount=kp
do 20 ie=0,ne
e=ei +de*float(ie)
k=sqrt(2.*E)
k2=sqrt(2.*(V-E))
psi0=exp(rooti*k*a)
psi1=psi0+dx*rooti*k*psi0
do 10 i=2,nx
x=xi+dx*float(i)
psi2=2.*psi1-psi0 -dx**2*(2.*(E-V)*psi1)
deriv=(psi2-psi1)/dx
psi0=psi1
psi1=psi2
10 continue
acoef=(1./2.)*(psi2-(rooti/k)*deriv)
print 110,E/V,1./abs(acoef)**2
20 continue
100 format('x,psi=',2(3x,e10.3))
110 format('E/V,Tcoef=',2(3x,e10.3))
stop
end


Fig 4-10 . Ψ* Ψ normalized such that Ψ (a) =exp(ika) , thus Ψ* (a)  Ψ (a) =1.

 

 

 

 

FORTRAN code

c FORTRAN code for the numerical integration
c tunneling for E < V , backward integration
real k,k2
complex psi2,psi1,psi0,rooti,deriv ,acoef
data a,Ei,Ef,V/1.,0.5,.5,1./
data ne,nx/40,1000/
rooti=cmplx(0.,1.)
xi=a
xf=-3.*a
de=(ef-ei)/float(ne)
dx=(xf-xi)/float(nx)
kp=int(float(nx)/40)
kount=kp
do 20 ie=1,1
e=ei +de*float(ie)
k=sqrt(2.*E)
k2=sqrt(2.*(V-E))
psi0=exp(rooti*k*a)
psi1=psi0+dx*rooti*k*psi0
print 100,a,abs(psi0)**2
do 10 i=2,nx
x=xi+dx*float(i)
if(x.lt.a.and.x.gt.0.)psi2=2.*psi1-psi0 -dx**2*(2.*(E-V)*psi1)
if(x.le.0.)psi2=2.*psi1-psi0 -dx**2*(2.*(E-0.*V)*psi1)
if(i.eq.kount)then
kount=kount+kp
print 100,x,abs(psi2)**2
print 100,a+Abs(a-x),1.
endif
deriv=(psi2-psi1)/dx
psi0=psi1
psi1=psi2
10 continue
acoef=(1./2.)*(psi2-(rooti/k)*deriv)
print 110,E/V,1./abs(acoef)**2
20 continue
100 format('x,psi**2=',2(3x,e10.3))
110 format('E/V,Tcoef=',2(3x,e10.3))
stop
end




Resonant tunneling


Fig 4-11 .The two barrier potential shows resonant tunnelig for E/V0 = 0.552

 

 

 

Fig 4-12 The transmission coefficient  equals unity when E= 0.552V0.

 

Fortran code for resonant tunneling

 

c FORTRAN code for the numerical integration
c resonant tunneling for E < V , backward integration
real k,k2
complex psi2,psi1,psi0,rooti,deriv ,acoef
data a, Ei,V0/1.,0.01,2./
data ne,nx/60,1000/
Ef=V0
rooti=cmplx(0.,1.)
xi=3.*a
xf=0.
x1=a
x2=2.*a
x3=3.*a
de=(ef-ei)/float(ne)
dx=(xf-xi)/float(nx)
kp=int(float(nx)/40)
kount=kp
do 20 ie=0,ne
e=ei +de*float(ie)
k=sqrt(2.*E)
k2=sqrt(2.*(V0-E))
psi0=exp(rooti*k*xi)
psi1=psi0+dx*rooti*k*psi0
c print 100,a,abs(psi0)**2
do 10 i=2,nx
x=xi+dx*float(i)
psi2=2.*psi1-psi0 -dx**2*(2.*(E-V(x-dx,a,v0))*psi1)
c if(i.eq.kount)then
c kount=kount+kp
c print 100,x,abs(psi2)**2
c print 100,a+Abs(a-x),1.
c endif
deriv=(psi2-psi1)/dx
psi0=psi1
psi1=psi2
10 continue
acoef=(1./2.)*(psi2-(rooti/k)*deriv)
print 110,E/V0,log10(1./abs(acoef)**2)
20 continue
100 format('x,psi**2=',2(3x,e10.3))
110 format('E/V0,log10(T)=',2(3x,e10.3))
stop
end


function v(x,a,v0)
if(x.lt.0.)v=0.
if(x.ge.0..and.x.le.a)v=v0
if(x.gt.a.and.x.lt.2.*a)v=0.
if(x.ge.2.*a.and.x.le.3.*a)v=v0
if(x.gt.3.*a)v=0.
return
end







One dimensional scattering

 

An initial wave approaches from the right with amplitude exp(ikx). The energy is E= 1.2 and encounters a repulsive

barrier of height V=1 and width=a=1. Fig 4-13 shows that Ψ(x) is shifted forward relative to the original wave exp(ikx).

 

 

Fig 4-13   . With V=+1 , E=1.2 ,the scattered wave is shifted forward , in the region x > 0, relative to the plane wave exp(ikx).

FORTRAN code

c FORTRAN code for scattering probelm in one Dim by an attractive well
c  V=+1 , E = 1.2
c solve numerically by backward integration
real k,k2
complex psi2,psi1,psi0,rooti,deriv ,acoef, psiplane
data a, V/1.,1./
data ne,nx/1,4000/
psiplane(x)=exp(rooti*k*x)
Ei=1.2
Ef=Ei
rooti=cmplx(0.,1.)
xi=-4.*a
xf= 5.*a
de=(ef-ei)/float(ne)
dx=(xf-xi)/float(nx)
kp=int(float(nx)/40)
kount=kp
do 20 ie=1,ne
e=ei +de*float(ie)
k=sqrt(2.*E)
k2=sqrt(2.*(E-V))
psi0=exp(rooti*k*xi)
psi1=psi0+dx*rooti*k*psi0
print 100,xi,real(psi0),real(psiplane(xi))
do 10 i=2,nx
x=xi+dx*float(i)
if(x.lt.0.)psi2=2.*psi1-psi0 -dx**2*(2.*(E-0.*V)*psi1)
if(x.ge.0..and.x.le.a)psi2=2.*psi1-psi0 -dx**2*(2.*(E-V)*psi1)
if(x.gt.a)psi2=2.*psi1-psi0 -dx**2*(2.*(E-0.*V)*psi1)
if(i.eq.kount)then
kount=kount+kp
print 100,x,real(psi2),real(psiplane(x))
c print 100,a+Abs(a-x),real(exp(rooti*k*(a+Abs(a-x))))
endif
deriv=(psi2-psi1)/dx
psi0=psi1
psi1=psi2
10 continue
c acoef=(1./2.)*(psi2-(rooti/k)*deriv)
c print 110,E/V,log10(1./abs(acoef)**2)
20 continue
100 format('x,Real(psi),Real(plane)=',3(3x,e10.3))
110 format('E/V,log10(T)=',2(3x,e10.3))
stop
end


Figure 4-14 shows that in the case of an attractive well (V = -1 , a=1), the wave is shifted backwards. It lags the original wave after scattering.