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PERSAMAAN SCRÖDINGER

Dr. Uripto Trisno Santoso

Kimia FMIPA UNLAM

2019

PARTICLES AS WAVES
• The nonrelativistic Schrödinger equation is a type of partial
differential equation called a wave equation. Therefore it is
often said particles can exhibit behavior usually
attributed to waves. In most modern interpretations this
description is reversed – the quantum state, i.e. wave, is the
only genuine physical reality, and under the appropriate
conditions it can show features of particle-like behavior.
• Two-slit diffraction is a famous example of the strange
behaviors that waves regularly display, that are not
intuitively associated with particles. The overlapping
waves from the two slits cancel each other out in some
locations, and reinforce each other in other locations,
causing a complex pattern to emerge. Intuitively, one would
not expect this pattern from firing a single particle at the slits,
because the particle should pass through one slit or the
other, not a complex overlap of both.

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A double slit experiment showing the

accumulation of electrons on a screen
as time passes.
• a single particle fired through a
double-slit does show this same
pattern (figure on right). Note: The
experiment must be repeated many
times for the complex pattern to
emerge.
• The appearance of the pattern
proves that each electron passes
through both slits simultaneously.
• Although this is counterintuitive, the
prediction is correct; in particular,
electron diffraction and neutron
diffraction are well understood and
widely used in science and
engineering.

A simple illustration of diffraction is the Young double slit experiment pictured below

The double-slit interference experiment using monochromatic light and narrow slits.
Fringes produced by interfering Huygens wavelets from slits and are observed on the
screen. Image used with permission (CC-BY-SA; OpenStax).

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Amazingly, if electrons are used instead of light in the double-slit

experiment, and a fluorescent screen is used, one finds the same
kind of interference pattern! This is shown in the electron double-
slit diffraction pattern below:

Figure: Particles of matter (like an electron) produce a wave pattern when two slits are used.
Image used with permission (Public domain; NekoJaNekoJa).

Obviously, classical mechanics is not able to predict such a result. If the electrons are treated
as classical particles, one would predict an intensity pattern corresponding to particles that
can pass through one slit or the other, landing on the screen directly opposite the slit (i.e., no
intensity maximum at the center of the screen):

WAVE EQUATION
The wave equation is an important second-order linear partial
differential equation for the description of waves – as they occur in
physics – such as sound waves, light waves and water waves. It
arises in fields like acoustics, electromagnetics, and fluid dynamics.

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Sinusoidal waves of various frequencies; the bottom waves have higher

frequencies than those above. The horizontal axis represents time.

Spherical waves A pulse traveling through a string with fixed

coming from a point endpoints as modeled by the wave equation.
source.

PERSAMAAN GELOMBANG 1-D

In 1746, d’Alembert discovered the one-dimensional wave equation.

Jean-Baptiste le Rond
d'Alembert
(16 November 1717 – 29
October 1783) was a
French mathematician,
mechanician, physicist,
philosopher, and music 1-d standing wave as a superposition of two
theorist. waves traveling in opposite directions

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SCALAR WAVE EQUATION IN ONE

SPACE DIMENSION
The wave equation in one space dimension can be written like this:

This equation is typically described as having only one space dimension

"x", because the only other independent variable is the time "t".
Nevertheless, the dependent variable "y" may represent a second
space dimension, as in the case of a string that is located in the x-y
plane.

SCALAR WAVE EQUATION IN TWO

SPACE DIMENSION
In two space dimensions, the wave equation is

A solution of the wave equation in two dimensions with a zero-

displacement boundary condition along the entire outer edge.

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PERSAMAAN GELOMBANG 3-D

In 1756, Euler discovered the three-dimensional wave equation.

Leonhard Euler
(15 April 1707 – 18
September 1783) was a
pioneering Swiss Cut-away of spherical wavefronts, with a
mathematician and wavelength of 10 units, propagating from a
physicist. point source.

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Erwin Schrödinger
Erwin Rudolf Josef Alexander Schrödinger (12 August
1887 – 4 January 1961), sometimes written as Erwin
Schrodinger or Erwin Schroedinger, was a Nobel Prize-
winning Austrian physicist who developed a number of
fundamental results in the field of quantum theory, which
formed the basis of wave mechanics: he formulated the
wave equation (stationary and time-dependent
Schrödinger equation) and revealed the identity of his
development of the formalism and matrix mechanics.

• The first publications of Schrödinger about atomic theory and the theory of
spectra began to emerge only from the beginning of the 1920s, after his
personal acquaintance with Sommerfeld and Wolfgang Pauli and his move to
Germany.
• In January 1921, Schrödinger finished his first article on this subject, about the
framework of the Bohr-Sommerfeld effect of the interaction of electrons on some
features of the spectra of the alkali metals.
• In autumn 1922 he analyzed the electron orbits in an atom from a geometric
point of view, using methods developed by the mathematician Hermann Weyl.

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Schrödinger proposed an original interpretation

of the physical meaning of the wave function.

• In January 1926, Schrödinger published in Annalen der

Physik the paper "Quantisierung als Eigenwertproblem"
[Quantization as an Eigenvalue Problem] on wave
mechanics and presented what is now known as the
Schrödinger equation.
• In this paper, he gave a "derivation" of the wave equation
for time-independent systems and showed that it gave the
correct energy eigenvalues for a hydrogen-like atom.
• This paper has been universally celebrated as one of the
most important achievements of the twentieth century and
created a revolution in quantum mechanics and indeed of
all physics and chemistry.

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Schrödinger proposed an original interpretation of the physical

meaning of the wave function.

• A second paper was submitted just four weeks later that solved the
quantum harmonic oscillator, rigid rotor, and diatomic molecule
problems and gave a new derivation of the Schrödinger equation.
• A third paper, published in May, showed the equivalence of his
approach to that of Heisenberg and gave the treatment of the Stark
effect.
• A fourth paper in this series showed how to treat problems in which the
system changes with time, as in scattering problems. In this paper he
introduced a complex solution to the Wave equation in order to prevent
the occurrence of a fourth order differential equation, and this was
arguably the moment when quantum mechanics switched from real to
complex numbers, never to return.

These papers were his central achievement and were at once recognized as
having great significance by the physics community.

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SCHRÖDINGER EQUATION
• In quantum mechanics, the Schrödinger equation is a partial
differential equation that describes how the quantum state of a
physical system changes with time. It was formulated in late
1925, and published in 1926, by Erwin Schrödinger.
• The most general form is the time-dependent Schrödinger
equation, which gives a description of a system evolving with
time:

• where i is the imaginary unit, ħ is the Planck constant divided by 2π (which is

known as the reduced Planck constant), the symbol ∂/∂t indicates a partial
derivative with respect to time t, Ψ (the Greek letter Psi) is the wave function of
the quantum system, and Ĥ is the Hamiltonian operator (which characterizes
the total energy of any given wave function and takes different forms
depending on the situation).

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The classical law governing wave motion is the wave equation

(1)

• where x, y, z are the coordinates, t the time, v the velocity of

propagation, and D the displacement of the wave.
• If v does not depend on the time, then the displacement is the
product of a function of the coordinates only, (x, y, z), and a
periodic function of time, ei2t, where v is the frequency of
the wave, and i = (-1). Then

(2)

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(2)

which means that if we sit at a fixed position x, y, z,, and

observe the value of D, then at an arbitrary time t = 0,
and

At later time,

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(1)

(2)

Dengan memasukkan nilai pers (1) ke (2) diperoleh

persamaan umum fungsi gelombang klasik:

Dari persamaan de Broglie  = h/(mv) dan

maka diperoleh:

Persamaan dasar untuk persamaan Scrödinger

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(i)

where we have used h = h/2. If it were not for the  function

in above equation, we would be tempted to see a similarity
between this equation and the classical one
(ii)

Since  bothers us, suppose we just leave a blank where it

appears in this equation, then

(iii)

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(ii)

• where K has replaced Ekin, since the right-hand side of this equation is
an operator; this operator tells us to perform the operation of taking
the second partial derivatives of some function, multiply each by -
h2/2m, and add them together.
• Corresponding to the classical momentum px, there is an operator px.
• We find the momentum operator easily using px as an example.
Comparing Eqs. (i) and (ii), we get

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All of this is very puzzling, but let's go a step further. Using Eq. (i),
we calculate the total energy E = Ekin + V, where V is the potential
energy and is usually a function of the coordinates ; then we have

(iii)

which could be written in operator form as

(iv)

Either of Eqs. (iii) or (iv) is the Schriödinger equation, which bears

some similarity to the classical equation for the conservation of
energy

Indeed, the Schrodinger equation is the quantum-mechanical

analogue of this classical equation.

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TIME-INDEPENDENT EQUATION
• The time-independent Schrödinger equation predicts that wave
functions can form standing waves, called stationary states (also
called "orbitals", as in atomic orbitals or molecular orbitals).

Ĥ = E
From Eq. (iv)

H=K+V
• In words, the equation states:
When the Hamiltonian operator acts on a certain wave
function Ψ, and the result is proportional to the same wave
function Ψ, then Ψ is a stationary state, and the
proportionality constant, E, is the energy of the state Ψ.

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• As before, the most famous manifestation is the non-

relativistic Schrödinger equation for a single particle moving
in an electric field (but not a magnetic field):

• The time-independent Schrödinger equation is the equation

describing stationary states. (It is only used when the
Hamiltonian itself is not dependent on time. In general, the
wave function still has a time dependency.)

H=K+V
Ĥ = E
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IMPLICATIONS
• The Schrödinger equation, and its solutions, introduced a
breakthrough in thinking about physics.
• Schrödinger's equation was the first of its type, and
solutions led to consequences that were very unusual and
unexpected for the time.
1. Total, kinetic, and potential energy
2. Quantization
3. Measurement and uncertainty
4. Quantum tunneling
5. Particles as waves

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QUANTIZATION
• The Schrödinger equation predicts that if certain properties of a
system are measured, the result may be quantized, meaning
that only specific discrete values can occur.
• One example is energy quantization: the energy of an electron
in an atom is always one of the quantized energy levels, a fact
discovered via atomic spectroscopy.
• Another example is quantization of angular momentum. This
was an assumption in the earlier Bohr model of the atom, but it is
a prediction of the Schrödinger equation.
• Another result of the Schrödinger equation is that not every
measurement gives a quantized result in quantum mechanics.
For example, position, momentum, time, and (in some situations)
energy can have any value across a continuous range.

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PROPERTIES
1. Linearity
In the development above, the Schrödinger equation was made to be linear
for generality, though this has other implications. If two wave functions ψ1 and
ψ2 are solutions, then so is any linear combination of the two:

where a and b are any complex numbers (the sum can be extended for any
number of wavefunctions).

2. Real energy eigen states

For the time-independent equation, an additional feature of linearity follows: if

two wave functions ψ1 and ψ2 are solutions to the time-independent equation
with the same energy E, then so is any linear combination:

Two different solutions with the same energy are called degenerate

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PROPERTIES
3. Space and time derivatives
The Schrödinger equation is first order in time and second in space, which
describes the time evolution of a quantum state (meaning it determines the
future amplitude from the present).
Explicitly for one particle in 3-dimensional Cartesian coordinates – the equation
is

The first time partial derivative implies the initial value (at t = 0) of the
wavefunction

is an arbitrary constant. Likewise – the second order derivatives with respect

to space implies the wavefunction and its first order spatial derivatives

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PROPERTIES
4. Local conservation of probability
The Schrödinger equation is consistent with probability conservation.
Multiplying the Schrödinger equation on the right by the complex conjugate
wavefunction, and multiplying the wavefunction to the left of the complex
conjugate of the Schrödinger equation, and subtracting, gives the continuity
equation for probability:

Where:

is the probability density (probability per unit volume, * denotes complex

conjugate), and

is the probability current (flow per unit area).

Hence predictions from the Schrödinger equation do not violate
probability conservation.

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Using the Schrödinger equation to

develop the de Broglie relation
• The Schrödinger equation can be seen to be plausible by noting
that it implies the de Broglie relation for a freely moving particle in
a region where its potential energy V is constant.

After writing V(x) =V, we can rearrange

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• We now recognize that cos kx is a wave of wavelength λ = 2π/k, as

can be seen by comparing cos kx with the standard form of a
harmonic wave, cos(2πx/λ).
• The quantity E−V is equal to the kinetic energy of the particle, Ek,
so k = (2mEk/ħ2)1/2, which implies that Ek = k2ħ2/2m.
• Because Ek = p2/2m, it follows that p = kħ.
• Therefore, the linear momentum is related to the wavelength of the
wavefunction by

which is the de Broglie relation

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• The Schrödinger equation itself also implies some

mathematical restrictions on the type of functions that
will occur. Because it is a second-order differential
equation, the second derivative of ψ must be well-
defined if the equation is to be applicable everywhere.
We can take the second derivative of a function only if it
is continuous and if its first derivative, its slope, is
continuous.

• At this stage we see that  must be:

1. continuous
2. have a continuous slope
3. be single-valued
4. be square-integrable

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The wavefunction must satisfy stringent conditions for it to be

acceptable. (a) Unacceptable because it is not continuous; (b)
unacceptable because its slope is discontinuous; (c) unacceptable
because it is not single-valued; (d) unacceptable because it is
infinite over a finite region.

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THE BORN INTERPRETATION OF

THE WAVEFUNCTION
Key points:
1. According to the Born interpretation, the probability density
is proportional to the square of the wavefunction.
2. A wavefunction is normalized if the integral of its square is
equal to 1.
3. The quantization of energy stems from the constraints that
an acceptable wavefunction must satisfy.

For a one-dimensional system:

If the wavefunction of a particle has the value ψ at some point x,
then the probability of finding the particle between x and x + dx is
proportional to |ψ |2dx.

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THE BORN POSTULATE

• The wave function contains all the information we can
possibly know about the system it describes. What
information does 'I' give us about the result of a
measurement of the x coordinate of the particle?
• We cannot expect 'I' to involve the definite specification
of position that the state of a classical-mechanical
system does.
• The correct answer to this question was provided by
Max Born shortly after Schrodinger discovered the
Schrodinger equation. Born postulated that

gives the probability at time t of finding the particle in the

region of the x axis lying between x and x + dx.

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• If the wavefunction of a particle has the value ψ at

some point r, then the probability of finding the
particle in an infinitesimal volume dτ = dxdydz at
that point is proportional to |ψ |2dτ.

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Normalization
Orthonormality property

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Therefore, for this integral to equal 1, we must set

and the normalized wavefunction is

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CONTOH 1: 1-D

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OPERATOR FOR SCRODINGER EQUATION

• The actions have the names integrate, form the inverse, multiply,
and add, and they are all called operators.
• To every measurable quantity (observable), such as energy,
momentum, or position, there is a corresponding operator in
quantum mechanics. Quantum mechanical operators usually
involve differentiation with respect to a variable such as x or
multiplication by x or a function of the energy such as V(x).
Operators are denoted by a caret: Ô.
• an operator Ô has a set of eigenfunctions and eigenvalues.

The operator acting on these special wave functions returns the

wave function multiplied by a number. These special functions are
called the eigenfunctions of the operator and the an are called the
eigenvalues.
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Contoh 2

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ORTHOGONALITY
• The Eigenfunctions of a Quantum Mechanical Operator Are
Orthogonal.
• We are familiar with the concept of orthogonal vectors. For
example, orthogonality in three-dimensional Cartesian
coordinate space is defined by

• in which the scalar product between the unit vectors along the x,
y, and z axes is zero.
• The analogous expression that defines orthogonality
between the eigenfunctions i(x) and j(x) of a quantum
mechanical operator is

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CONTOH 3

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• The functions are shown in the right side of graphs.

• The vertical axes have been offset to avoid overlap and the horizontal
line indicates the zero for each plot.
• Because the functions are periodic, we can draw conclusions about
their behavior in a very large interval that is an integral multiple of by
considering their behavior in any interval that is an integral multiple of
the period.

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