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Solving Schrödinger Equation for Finite Potential Well Using the Iterative
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Article · December 2019

DOI: 10.22401/ANJS.22.4.07]

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Al-Nahrain Journal of Science Vol. 22 (4), December, 2019, pp. 52-58

Solving Schrödinger Equation for Finite Potential Well

Using the Iterative Method
Laith A. Al-Ani * and Russul K. Abid **
Department of Physics, College of Science, Al-Nahrain University.
* Corresponding authors: [email protected]
** Corresponding authors: [email protected]

Abstract
The quantum Finite Square Well (FSW) model is a well-known topic in most quantum
mechanics (QM) books. A couple of equations can be derived from one dimensional Schrodinger
equation for a finite potential well for describing the bound Eigen states within the well. Sometimes
the FSW problem does not have an exact solution, yet, there are in fact exact solutions.
In this work a computational techniques is adopted to find the exact solution for FSW. To
achieve this computational solution, a computer program has been written in Basic language for
calculating the Eigen state energy for a particle confined in finite potential well using the iterative
method (IM). Six values of potential width have been studied with potential depth. The results
showed that wider potential width led us to more bound states, while narrower potential width led
us to less bound states. Six values of potential depth have been studied with potential width. The
results showed that larger potential depth led us to more bound states, while smaller potential width
led us to less bound states.
A Comparison Between Finite and Infinite Potential Well has been also presented. The result of
comparison showed that energy levels of an infinite well are much higher than that the
corresponding energy levels for finite potential well.
In general, the matching between the results of the iterative method and the graphical method
(GM) proving that the iteration method can be regarded as a useful tool for describing the solutions
of the 1-dimensional FSW problem. [DOI: 10.22401/ANJS.22.4.07]

Keywords: Finite Potential Well, Computational Techniques, Schrödinger Equation.

1. Introduction has been sized so that the energy of an electron in

The quantum mechanics mathematics is the first excited state is quite near the threshold of
usually introduced through physical systems confinement in the well.
described by one dimensional wells [1, 2]. These The QWIP is therefore very sensitive to the
examples are used to show the emergence of arrival of a single photon. There are numerous
quantized states as solutions of the Schrödinger different uses of quantum well models in
equation subject to appropriate boundary nanostructures; the textbook by Harrison [12]
conditions. Unfortunately, there are not many give a good literature survey in this field.
potentials for which the bound state energies can The finite quantum well is of great practical
be expressed in closed form. The classic example importance because it forms the basis for
is the infinite square well, but it is obviously understanding low-dimensional structures such as
artificial. In the more realistic case where the quantum well devices [11].
potential well is finite, the allowed energies as
functions of the barrier height can be found 2- Derivation of Transact Equations
numerically by solving a transcendental equation The choice of potential V (r) decides what
[3], by graphical methods [4- 6] or by various system that will be modeled. A potential with
approximation techniques [7- 10]. an easy analytic solution can be used for
Quantum well models are essential for the testing the accuracy, convergence and stability
structure of semiconductor devices, for example of the numerical methods. A more advanced
the quantum well infrared photodetector (QWIP), potential that cannot be solved analytically
which is utilized for infrared imaging applications may be a better approximation of the real
[11]. The QWIP relies upon a quantum well that problem [13].

52
 Laith A. Al-Ani

Consider the potential shown in Fig.(1), 𝜓𝐼 = 𝐶 𝑒 𝛽𝑥 ................................................. (7)

the particle has energy, E , less than 𝑉𝑜 , and is
bound to the well [1, 14 ]. Region III
In region III, Schrodinger equation is
written as:
𝑑2 𝜓𝐼𝐼𝐼 2𝑚
+ (𝐸 − 𝑉𝑜 )𝜓𝐼𝐼𝐼 = 0 ................. (8)
𝑑𝑥 2 ħ2

Or
𝑑2 𝜓𝐼𝐼𝐼 2
− 𝛽 𝜓𝐼𝐼𝐼 = 0 .................................... (9)
𝑑𝑥 2
𝜓𝐼𝐼𝐼 = 𝐶 𝑒 𝛽𝑥 + 𝐷 𝑒 −𝛽𝑥 ........................... (10)
but since 𝜓𝐼𝐼𝐼 −→ 0 𝑎𝑠 𝑥 −→ + ∞,
Fig.(1): A finite square well, depth, Vo , width This condition is satisfied when the constant C
2a . = 0, then the solution became
The finite 1 D square well potential V(x) can 𝜓𝐼𝐼𝐼 = 𝐷 𝑒 −𝛽𝑥 ........................................... (11)
be described by the following [14 ].
Region II
𝑉𝑜 𝑖𝑓 𝑥 ≤ −𝑎 In region II the potential equal to zero,
𝑉(𝑥) = { 0 𝑖𝑓 −𝑎 ≤ 𝑥 ≤ 𝑎} ........ (1) then equation (2) can be written as
𝑉𝑜 𝑖𝑓 𝑥 ≥ −𝑎 ħ2 𝑑2 𝜓𝐼𝐼
− = 𝐸𝜓𝐼𝐼 .................................. (12)
2𝑚 𝑑𝑥 2
Consider the time-independent
Schrodinger equation in one dimension, Or
𝑑2 𝜓 2𝑚 𝑑2 𝜓𝐼𝐼 2𝑚𝐸
+ (𝐸 − 𝑉(𝑥) )𝜓 = 0 ...................... (2) + 𝜓𝐼𝐼 = 0 .............................. (13)
𝑑𝑥 2 ħ2 𝑑𝑥 2 ħ2

Fig.(1) divide the width into three regions Let

I, II, and III according to the potential.
2𝑚𝐸
𝛼2 = ................................................. (14)
ħ2
Region I
In this region 𝑥 ≤ −𝑎 and 𝑉(𝑥) = 𝑉𝑜 , Then equation (12) became
then Schrodinger equation is written as: 𝑑2 𝜓𝐼𝐼
+ 𝛼 2 𝜓𝐼𝐼 = 0 ................................. (15)
𝑑𝑥 2
𝑑2 𝜓𝐼 2𝑚
+ (𝐸 − 𝑉𝑜 )𝜓𝐼 = 0 ....................... (3)
𝑑𝑥 2 ħ2 and the solution [14].
Let 𝜓𝐼𝐼 = 𝐴 𝑆𝑖𝑛 𝛼𝑥 + 𝐵 𝐶𝑜𝑠 𝛼𝑥 ................... (16)
2 2𝑚
𝛽 = (𝑽𝒐 − 𝐸) .................................. (4) where A, B, C, D are constants
ħ2
To find the constants values, four
Then equations must be found. These equations can
𝑑2 𝜓𝐼 2
− 𝛽 𝜓𝐼 = 0 ........................................ (5) be found by applying the condition of
𝑑𝑥 2
continuity
The solutions to this differential equation 𝜓𝐼 = 𝜓𝐼𝐼
are:
{ } 𝑎𝑡 𝑥 = −𝑎
𝛽𝑥 −𝛽𝑥 𝑑𝜓𝐼 𝑑𝜓𝐼𝐼
𝜓𝐼 = 𝐶 𝑒 +𝐷𝑒 .............................. (6) = 𝑑𝑥
𝑑𝑥
𝜓𝐼𝐼𝐼 = 𝜓𝐼𝐼
But, since 𝜓𝐼 −→ 0 𝑎𝑠 𝑥 −→ − ∞.
This condition is satisfied when the constant { } 𝑎𝑡 𝑥= 𝑎
𝑑𝜓𝐼𝐼𝐼 𝑑𝜓𝐼𝐼
D equal to 0, then the solution became =
𝑑𝑥 𝑑𝑥

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Al-Nahrain Journal of Science Vol. 22 (4), December, 2019, pp. 52-58

Since the potential is symmetric, then the dividing equation (27) by equation (26) to
wave functions have defined parity (odd or eliminate A and D gives
even).
α cot α a = −β for odd parity .............. (28)
Even parity now let
To satisfy the even parity condition, the
following conditions must be satisfied, 𝑘 = 𝛼 𝑎 .................................................... (29)
𝜓(+𝑥) = 𝜓(−𝑥) and the value of A in equation
by using equation (14).
(16) must be zero. Equation (16) can be re
written as 𝑎
𝑘= √2𝑚𝐸 ........................................... (30)
ħ
𝜓𝐼𝐼 = 𝐵 𝐶𝑜𝑠 𝛼𝑥 ........................................ (17)
or
Also, the constant C in equation (7) and the
k2 ħ2
constant D in equation (11) must be equal then 𝐸= ................................................. (31)
2 m a2
equations can be re written as
and let
𝜓𝐼 = 𝐶 𝑒 𝛽𝑥 ................................................ (18)
𝑎
𝜓𝐼𝐼𝐼 = 𝐶 𝑒 −𝛽𝑥 ........................................... (19) 𝑏= √2mVo ........................................... (32)
ħ

By applying the condition of continuity at x =

From equation (3) and equation (14)
+a ( i.e. 𝜓𝐼𝐼 = 𝜓𝐼𝐼𝐼 )
α 𝐸 𝑘2
𝐵 𝐶𝑜𝑠 𝛼𝑎 = 𝐶 𝑒 −𝛽𝑎 ................................ (20) == √ (𝑉𝑜 − 𝐸)
= √ (𝑏 2 − 𝑘 2 )
.................. (33)
𝛽
and
Also from equation (22) for even parity
−𝛽𝑎
− 𝛼𝐵𝑆𝑖𝑛 𝛼𝑎 = −𝛽 𝐶 𝑒 ..................... (21) and equation(28) for odd parity the following
equations can be extracted
Dividing equation (21) on equation (20)
α
yield = Cot α a for even parity .............. (34)
β
α
α tan 𝛼 a = β f𝑜𝑟 𝑒𝑣𝑒𝑛 𝑝𝑎𝑟𝑖𝑡𝑦 ............. (22) = −tan α a for odd parity .............. (35)
β

odd parity 2m
Note that: since β = √ (Vo − E) and
In this case 𝜓(+𝑥) = − 𝜓(−𝑥) and the ħ2

value of B in equation (16) must be zero. 2mE

α= √ , in both equation (4) and (14)
Equation (16) can be re written as ħ2
respectively, there is only one unknown, the
𝜓𝐼𝐼 = 𝐴 𝑆𝑖𝑛 𝛼𝑥 ........................................ (23) energy, E ; so we should be able to solve for
the energy.
Also, the constant C in equation (7) equal
The solution of these implicit equations
to the negative value of constant D in equation
can be obtained by using either the graphical
(11) then equations can be re written as
solution method or using suitable numerical
𝜓𝐼 = −𝐷 𝑒 𝛽𝑥 ............................................ (24) method like Iterative method, Newton-
𝜓𝐼𝐼𝐼 = 𝐷 𝑒 −𝛽𝑥 ........................................... (25) Raphson method ….etc.

By applying the condition of continuity at x = 3- Result and Discussions

+a (I.e. 𝜓𝐼𝐼 = 𝜓𝐼𝐼𝐼 ) A computer program was written in basic
language is utilized to calculate the Eigen
𝐴 𝑆𝑖𝑛 𝛼𝑎 = 𝐷 𝑒 −𝛽𝑎 ................................. (26) value energies for a particle confined in finite
And and infinite potential well by adopting iterative
method. The main program code was built
𝛼𝐴𝐶𝑜𝑠 𝛼𝑎 = −𝛽 𝐷 𝑒 −𝛽𝑎 ........................ (27) with a number of supplement sub programs
(routines).
54
 Laith A. Al-Ani

Fig.(2) show the flow chart of the main

program which is used for calculating the
Eigen values using the iterative method.

Fig.(3): A graphical solution for the energy

Eigenvalues of the six bound states of an
electron in a 4 Ao, 75 eV finite potential well
[16].
Table (1) present the Eigen value energy
results between the result obtained from
graphical for potential width 4Ao and potential
depth 75eV [15] in addition to the obtained
result from the iterative method (IM) of the
present work for the same boundary condition.

Table (1)
Fig.(2): Flow chart utilized for calculating Eigen value from GM and IM
the Eigen values energies. for PW 4 Ao and PD 75 eV.
This program responsible on the process of Eigen value Eigen Value
the iterative method by utilizing equations (33) n Parity (eV) (GM) (eV) (IM)
with eq (34) for even parity, and eq (35) for Ref [15] Present Work
odd parity and continue looping between these
equations until the result became less or equal 1 Even 1.9 1.901826
the input of the tolerance error. The first step 2 Odd 7.6 7.586675
in the main program start by determining the 3 Even 16.9 16.95550
number of energy states according to the input 4 Odd 29.9 29.95245
values of potential depth (PD) and potential 5 Even 46.1 46.17400
width (PW). 6 Odd 64.6 64.75384
To test the output results precision
throughout the execution the program, a
3-1 Potential Width (PW) Effect
comparison study is made between the results Four values of potential width (2, 4, 6, and
obtained from graphical method (GM) and the 8 Ao) are studied with potential depth (16 eV).
results obtained from the adopted numerical The result of energy Eigen values for these
iterative method (IM). The Finite Square Well boundary condition parameters using the
program is performed to calculate the Eigen- iteration method are tabulated in table (2) .
Energies with a tolerance accuracy of
0.000001 (This value can be altered manually
in the code, by changing the constant tolerance
value).
Fig.(3) show a graphical solution for the
energy Eigenvalues of the six bound states for
an electron confined in a 4 Ao, 75 eV finite
potential well [15].

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Al-Nahrain Journal of Science Vol. 22 (4), December, 2019, pp. 52-58

Table (2) Table (3)

The result of Eigen value from numerical The result of Eigen value from numerical
method for four values of potential width method for six values of potential depth (eV)
and potential depth 16 eV. and potential width 4 Ao.
PD PW nth Eigen Value PW PD nth Eigen Value
n n
(eV) (Ao) Result (eV) (IM) (Ao) (eV) Result (eV) (IM)
4.137227 1 1.034307
1 2 2 1 4
15.39703 2 3.849257
1.513965 1 1.285277
2 4 3 5.919476 2 8
2 4.846983
12.55995 1 1.423374
0.7726148 3 12 2 5.504372
3.067378 3 12.28175
3 6 4
16 6.798559 1 1.513965
11.72331 4 4 16 2 5.919476
0.466942 3 12.55995
1.861466 1 1.582808
4.162131 5 20 2 6.225575
4 8 6
7.321645 3 13.46658
11.22829 1 1.633098
15.4325 2 6.44743
6 24
3 14.09409
The results of table (2) show that larger 4 24.33458
potential width led us to more bound state,
while smaller potential width led us to less 3.3-Comparison Between Finite and Infinite
bound states Potential Well
Table (4) presents the comparison for the
3-2 Potential Depth (PD) Effect four bound stated in a 2 nm (20 Ao) potential
Six values of potential depth (4, 8, 12, 16, width, and 1 eV potential depth for one
20 and 24 (eV) is studied with potential width dimensional finite potential well and infinite
4 (Ao). The result of energy Eigen values for potential well
these boundary condition parameters using the
iteration method are tabulated in Table (3). Table (4)
The results of table (3) show that the following Comparison of infinite and Finite
remarks: Potential Wells.
• larger PD led us to more bound states, while
Eigen Value (eV)
smaller PD led us to less bound states
• The energy of the nth state is less than the Ref
Present Work
PW [16]
infinite potential well. This means inside finite nth
potential well type of potentials the number of (Ao) Finite
Infinite Infinite
quantum states is finite Potential
Potential Potential
(1) eV)
1 0.094 0.094138 0.065849
2 0.377 0.376551 0.260150
20
3 0.848 0.847239 0.569726
4 -------- 1.506203 0.941164

Fig.(4) showes The four bound stated in a

2 nm (20 Ao) potential width, and 1 eV (PD)

56
 Laith A. Al-Ani

for one dimensional a- finite potential well b- calculated Eigen states values for infinite
infinite potential well. potential well. It’s clear from this results that
percentage error decreased when the potential
depth increased.

Table (5)
Comparison of infinite and Finite Potential
Wells.
Eigen Value (eV)
PW Present Work
nth
(Ao) Infinite PD finite
Error%
Potential (eV) Potential
1 2.35344 1.64623 30.1
2 9.41376 6.503752 30.9
25
3 21.18097 14.24314 32.8
4 37.65506 23.5291 37.5
1 2.35344 1.81439 22.9
2 9.41376 7.222725 23.3
3 21.18097 50 16.10431 23.9
4 37.65506 28.16892 25.2
4 5 58.83604 42.5557 27.7
Fig.(4): The four bound stated in a 2 nm
(20 Ao) potential width, and 1 eV (PD) for 1 2.35344 1.99215 15.4
one dimensional a- finite potential well b- 2 9.41376 7.95804 15.5
3 21.18097 17.86378 15.6
infinite potential well.
4 37.65506 31.64409 16.0
125
Table (4) and Fig.(4) showes that the 5 58.83604 49.18309 16.4
calculated energy levels in the finite potential 6 84.72389 70.26498 17.0
well are lower than the corresponding energy 7 115.3186 94.41186 18.1
8 150.6203 119.8218 20.4
levels in the infinite potential well of the same
width ( E1 = 0.094 eV, E2 0.377 eV, and E3 =
0.848 eV). This is not surprising because the Conclusions
wave function in the finite potential well • The iterative method was succeed to solve
extends into the classically forbidden region, the Schrodinger equation for finite potential
according to that the corresponding well. This method is very accurate and
wavelengths are longer than those in the efficient.
infinite potential well and therefore reduces its • More bound state can be found with larger
kinetic energy. potential width, while smaller potential
Table (5) presents the results of Eigen width led us to less bound states
states values for finite potential well for • More bound states can be found with larger
potential width 4 Ao with three values of potential depth while smaller potential depth
potential depth (25, 50, and 125 eV) in led us to less bound states
addition to the corresponding calculated Eigen • The number of energy of the nth state is less
states values for infinite potential well. The than the infinite potential well. This means
results also show that how the corresponding inside finite potential well type of potentials
energy levels of an infinite well are much the number of quantum states is finite
higher. In finite potential well the particle is • The percentage error decreased between the
not strictly contained and the location extends calculated Eigen states values for finite
into classically forbidden region. potential well and the corresponding
Table (5) also presents the percentage error calculated Eigen states values for infinite
between the calculated Eigen states values for potential well when the potential depth
finite potential well and the corresponding increased.

57
 Al-Nahrain Journal of Science Vol. 22 (4), December, 2019, pp. 52-58

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