Quantium 3
Quantium 3
Reality ?
Prof. D. M. Parshuramkar
Dept. of Physics
N. H. College, Bramhapuri
1. Classical Mechanics
position r = (x,y,z)
Property Behaviour
mass momentum
Particles position collisions
velocity
T - depends on v V - depends on r
E = p2/2m + V (p = mv)
PE V
force F = (dV/dx)
F = ma = m(dv/dt) = m(d2x/dt2)
acceleration
• Therefore, if we know the forces acting on a particle we can
solve a differential equation to determine it’s trajectory {x(t),p(t)}.
1.3 Example – The 1-Dimensional Harmonic Oscillator
x=0
F NB – assuming no friction or
k other forces act on the particle
m (except F).
1 k
frequency = /2 =
m
(of oscillation) 2π
A
• Assuming that the potential energy V = 0 at x = 0, it can be
shown that the total energy of the harmonic oscillator is given
by:
E = ½kA2
• As the amplitude (A) can take any value, this means that the
energy (E) can also take any value – i.e. energy is continuous.
• At any time (t), the position {x(t)} and velocity {v(t)} can be
determined exactly – i.e. the particle trajectory can be specified
precisely.
1750 K
1250 K
0 2000 4000 6000 l/nm
Planck’s Quantum Theory
• Planck (1900) proposed that the light energy emitted by the
black body is quantized in units of h ( = frequency of light).
E = nh (n = 1, 2, 3, …)
• h – a quantum of energy.
• Conclusions:
• Energy is quantized (not continuous).
• Energy can only change by well defined amounts.
Time period of a Simple pendulum
• String vibration
• Phase Space
b) Heat Capacities (Einstein, Debye 1905-06)
Ek = hn -
Metal surface
work function = F
n1 = 1 Lyman
n1 = 2 Balmer
n1 = 3 Paschen
n1 = 4 Brackett
n1 = 5 Pfund
ν 1 1 1
ν R H 2 2
c λ n n
1 2
A – Amplitude l – wavelength
n - frequency c=n xl or n = c / l
wavenumber n = n / c = 1 / l
• The model only works for hydrogen (and other one electron
ions) – ignores e-e repulsion.
b) Spectroscopy
Discrete spectral lines of atoms and molecules
correspond to the absorption or emission of a photon of
energy h , causing the atom/molecule to change
between energy levels: E = h .
Intensity
s
i
i s
• Explanation: The scattered X-rays undergo elastic collisions with
electrons in the graphite.
– Momentum (and energy) transferred from X-rays to electrons.
3.1 Definitions
• Wavefunction () – a wave representing the spatial distribution of a
“particle”.
• e.g. electrons in an atom are described by a wavefunction centred
on the nucleus.
• is a function of the coordinates defining the position of the
classical particle:
– 1-D (x)
– 3-D (x,y,z) = (r) = (r,,) (e.g. atoms)
• may be time dependent – e.g. (x,y,z,t)
The Importance of
• completely defines the system (e.g. electron in an atom or
molecule).
• If is known, we can determine any observable property (e.g.
energy, vibrational frequencies, …) of the system.
• QM provides the tools to determine computationally, to
interpret and to use to determine properties of the system.
3.2 Interpretation of the Wavefunction
• In QM, a “particle” is distributed in space like a wave.
• We cannot define a position for the particle.
• Instead we define a probability of finding the particle at any point
in space.
P(x) (x)2 dx
probability density
P(r) (r)2 d
2 2
Ptotal 3D ψr dτ ψx, y, z dxdydz 1
2
such that:
ψ Norm r dτ 1
Quantization of Quantization of E
3.5 Heisenberg’s Uncertainty Principle
Dx – uncertainty in position
Dpx – uncertainty in momentum (in the x-direction)
• If we know the position (x) exactly, we know nothing about momentum (px).
• If we know the momentum (px) exactly, we know nothing about position (x).
• i.e. there is no concept of a particle trajectory {x(t),px(t)} in QM (which applies to
small particles).
• NB – for macroscopic objects, Dx and Dpx can be very small when compared
with x and px so one can define a trajectory.
• Much of classical mechanics can be understood in the limit h 0.
How to Understand the Uncertainty Principle
DE.D
Q̂ψ Qψ
Q̂ψ Q ψ
operator Q acting on function multiplied
function by a number Q
(eigenfunction) (eigenvalue)
x̂ψ xψ
Examples
1. Kinetic Energy Operator in 1-D T̂x
2 2 2
p ˆ ˆ
p d 2
CM
Tx x QMT x
2m dx 2
x
2m 2m
2. KE Operator in 3-D
T̂
CM QM “del-squared”
2 2 2 2 2 2
p2 px2 py2 pz2 ˆ ˆ
p
T T 2 2 2
2m
2m x 2
y z 2m
2m 2m
partial derivatives
operate on (x,y,z)
3. Potential Energy Operator (a function of position)
PE operator correspondsV̂
to multiplication by V(x), V(x,y,z) etc.
4.2 The Schrödinger Equation (1926)
ˆ T
ˆ V
ˆ E Total Energy
where
H and E = T + V.
ˆ ψ T
ˆ ψV
ˆ ψ Eψ 2 2 ψ
H Vx ψ Eψ
2m x 2
• SE 2 2 ψ 2 ψ 2 ψ
2 2 Vx, y, z ψ Eψ
2m x 2
y z
or 2 2
ψ Vx, y, z ψ Eψ Note: The SE is a second order
2m differential equation
4.3 Particle in a I-D Box
System
– Particle of mass m in 1-D box of length L.
– Position x = 0L.
– Particle cannot escape from box as PE V(x)= for x = 0, L
(walls).
– PE inside box: V(x)= 0 for 0< x < L.
0
0 x L
2 2 ψ
Eψ
2m x 2
2ψ
k 2 A sin kx B cos kx k 2 ψ
x 2
2 2 2
• SE ψ
k 2 ψ Eψ
2m x 2 2m
1. x = 0 = A sin kx + B cos kx = B
0 1
=0 B=0
= A sin kx for all x
2. x = L = A sin kL = 0
A=0 ? sin kL = 0 ?
(or = 0 for all x)
sin kL = 0 kL = n n = 1, 2, 3, …
(n 0, or = 0 for all x)
Allowed Wavefunctions and Energies
• 2 nx
Normalization: A = (2/L) ψn L
sin
L
• Allowed energies: k 2 2 n 2 π 2 2
En
2m 2mL2
n 2h2
En
8mL2
Quantum Numbers
• 2 nx
Wavefunctions are standing waves: ψn L
sin
L
• The first 5 normalized wavefunctions for the particle in the 1-D
box:
2ψn n2
KE E n Tn
x 2 L2
n 2h2
Energies En
8mL2
E E
2 node
L
1
L1 L2
• En n2 energy levels get further apart as n
n E
9h 2
3 E3
8mL2
4h 2
2 E2
8mL2
h2
1 E1 2 h2
8mL ZPE
0 8mL2
• Zero-Point Energy (ZPE) – lowest energy of particle in box:
h2
ZPE E min E 1
8mL2
• CM Emin = 0
• QM E = 0 corresponds to = 0 everywhere (forbidden).
• If V(x) = V 0, everywhere in box, all energies are shifted by V.
V=0 V0
E2=E2+V
n 2h2
En 2
V E2
8mL
E1=E1+V
V
E1
Density Distribution of the Particle in the 1-D Box
2 nx
Pn x L2 sin dx 2
L
• Note: probability is not uniform
– n2 = 0 at walls (x = 0, L) for all n.
2
– n2 = 0 at nodes (where n = 0).
4.4 Further Examples
T̂ 3-D KE operator
PARTICLES
Superposition of waves
of different wavelengths
to make a packet
Act of measurement
influences the electron
-gives it a kick and it
is no longer where it
was ! Essence of uncertainty
principle.
Yodh 60
Classical world is Deterministic:
Knowing the position and velocity of
all objects at a particular time
Future can be predicted using known laws of force
and Newton's laws of motion.
Quantum World is Probabilistic:
Impossible to know position and velocity
with certainty at a given time.
Yodh 61
BEFORE OBSERVATION IT IS IMPOSSIBLE TO SAY
WHETHER AN OBJECT IS A WAVE OR A PARTICLE
OR WHETHER IT EXISTS AT ALL !!
QUANTUM MECHANICS IS A PROBABILISTIC THEORY OF NATURE
Yodh 62
COMMON SENSE VIEW OF THE WORLD IS AN
APPROXIMATION OF THE UNDERLYING BASIC
QUANTUM DESCRIPTION OF OUR PHYSICAL
WORLD !
IN THE COPENHAGEN INTERPRETATION OF
BOHR AND HEISENBERG IT IS IMPOSSIBLE IN
PRINCIPLE FOR OUR WORLD TO BE
DETERMINISTIC !
.Quantum entanglement
.Double slit Exp.
:Quantum description of Nature
is incomplete.
What is QM trying to tell
us?
Bohr: In our description of Nature , the
purpose is not to disclose the real
essence of the phenomena but only to
track down , so far as it is possible,
relations between the manifold aspects
of our experience.
19 th
century problem : What is
Electrodynamics trying to tell us?