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BRIEF HISTORY
Influenced by Newton, most physicists of the 18th century believed that light consisted of
particles, which they called corpuscles.
In 1800, Thomas Young showed that, if monochromatic light passes through a pair of
slits, the two emerging beams interfere, so that a fringe pattern of alternately bright and
dark bands appears on a screen.
Beginning in 1815, a series of experiments by Augustin-Jean Fresnel of France and
others showed that, when a parallel beam of light passes through a single slit, the
emerging beam is no longer parallel but starts to diverge; this phenomenon is known as
diffraction.
1900 (Planck): Max Planck proposed that light with frequency is emitted in quantized
lumps of energy that come in integral multiples of the quantity : E = h = h
1905 (Einstein): Albert Einstein stated that the quantization was in fact inherent to the
light, and that the lumps can be interpreted as particles, which we now call photons.
1913 (Bohr): Niels Bohr stated that electrons in atoms have wavelike properties
1924 (de Broglie): Louis de Broglie proposed that all particles are associated with
waves, where the frequency and wavenumber of the wave are given by the same
relations we found above for photons, namely E = h and p = hk.
1925 (Heisenberg): Werner Heisenberg formulated a version of quantum mechanics that
made use of matrix mechanics.
1926 (Schrodinger): Erwin Schrodinger formulated a version of quantum mechanics that
was based on waves. He wrote down a wave equation (the so-called Schrodinger
equation) that governs how the waves evolve in space and time
1926 (Born): Max Born correctly interpreted Schrodingers wave as a probability
amplitude.
1926 (Dirac): Paul Dirac showed that Heisenbergs and Schrodingers versions of
quantum mechanics were equivalent, in that they could both be derived from a more
general version of quantum mechanics.
It was once thought that the motion of atoms and subatomic particles could be
expressed using classical mechanics, the laws of motion introduced in the seventeenth
century by Isaac Newton, for these laws were very successful at explaining the motion of
everyday objects and planets. However, towards the end of the nineteenth century,
experimental evidence accumulated showing that classical mechanics failed when it was
applied to particles as small as electrons, and it took until the 1920s to discover the
appropriate concepts and equations for describing them.
Quantum mechanics is the science which deals with the behavior of matter and light on
the atomic and subatomic scale. It attempts to describe and account for the properties of
molecules and atoms and their constituentselectrons, protons, neutrons, and other
more esoteric particles such as quarks and gluons.
The word "quantum" is derived from Latin word to mean bundle. Therefore, we are
studying the motion of objects that come in small bundles called quanta. These tiny
bundles that we are referring to are electrons traveling around the nucleus. The
descriptor quantum arises because in contrast with classical mechanics, certain
quantities take on only discrete values.
In quantum mechanics, particles have wavelike properties, and a particular wave
equation, the Schrodinger equation, governs how these waves behave.
PROPERTIES OF LIGHT
Wave travels at a constant speed called the speed of light, c, which is about 3x10^8 m/s.
An electromagnetic field has two components: an electric field that acts on charged
particles and a magnetic field that acts only on moving charged particles.
Here are some experimental evidence that showed that several concepts of classical
mechanics are untenable. Observations of the radiation emitted by hot bodies, heat capacities,
and the spectra of atoms and molecules indicate that systems can take up energy only in
discrete amounts.
ABANADOR, AGUSTIN, ALAYON, ARELLANO, ARELLANO, CANOVAS, CARANDANG, COLCOL, DELMO,
ENGAY, FRANCO, GUILLANO, GUINHAWA 2
QUANTUM MECHANICS
A. Black-body radiation
Figure 1.1
The curves are those of an ideal emitter called a black body, which is an object capable
of emitting and absorbing all frequencies of radiation uniformly.
Equation 1
where (rho), the density of states, is the proportionality constant between d and the energy
density, dE,
k is Boltzmanns constant (k = 1.381 x 10-23 J/K).
Ultraviolet catastrophe - implies that a large amount of energy is radiated in the high-
frequency region of the electromagnetic spectrum
The German physicist Max Planck studied black-body radiation from the viewpoint of
thermodynamics. In 1900 he found that he could account for the experimental observations by
proposing that the energy of each electromagnetic oscillator is limited to discrete values and
cannot be varied arbitrarily.
Planck distribution
This expression fits the experimental curve very well at all wavelengths. The currently accepted
value for h is 6.626 x 10-34 Js.
According to Plancks hypothesis, oscillators are excited only if they can acquire an
energy of at least hv. This energy is too large for the walls to supply in the case of the very high
frequency oscillators, so the latter remain unexcited. The effect of quantization is to reduce the
contribution from the high frequency oscillators, for they cannot be significantly excited with the
energy available.
C. Heat capacities
-unfortunately, significant deviations from their law were observed when advances in
refrigeration techniques made it possible to measure heat capacities at low temperatures
Equation 3
Einstein formula
Equation 4
Equation 5
Debye formula
The poor fit arises from Einsteins
assumption that all the atoms oscillate with the same frequency, whereas in fact they oscillate
over a range of frequencies from zero up to a maximum value. This complication is taken into
account by the Debye formula.
Equation 6
Debye temperature
Spectroscopy- the detection and analysis of the electromagnetic radiation absorbed, emitted,
or scattered by a substance
The record of the intensity of light intensity transmitted or scattered by a molecule as a
function of frequency, wavelength, or wavenumber is called its spectrum (from the Latin word
for appearance).
ABANADOR, AGUSTIN, ALAYON, ARELLANO, ARELLANO, CANOVAS, CARANDANG, COLCOL, DELMO,
ENGAY, FRANCO, GUILLANO, GUINHAWA 5
QUANTUM MECHANICS
The obvious feature of both is that radiation is emitted or absorbed at a series of discrete
frequencies.
WAVEPARTICLE DUALITY - joint particle and wave character of matter and radiation.
At this stage we have established that the energies of the electromagnetic field and of oscillating
atoms are quantized. In this section we shall see the experimental evidence that led to the
revision of two other basic concepts concerning natural phenomena. One experiment shows
that electromagnetic radiationwhich classical physics treats as wave-likeactually also
displays the characteristics of particles. Another experiment shows that electronswhich
classical physics treats as particlesalso display the characteristics of waves.
E = nh Equation 7
Where
E is energy
n is the number of photons
h is Planck's constant, (h= 6.626 x 10-34 Js)
v is frequency
Photoelectric effect - the ejection of electrons from metals when they are exposed to
ultraviolet radiation.
1 2
m v =hV Equation 8
2 e
Where
is work function
v is velocity
V is frequency
h is Planck's constant, (h= 6.626 x 10-34 Js)
Work Function
- the energy required to remove an electron from the metal to infinity
- the analogue of the ionization energy of an individual atom or molecule
NOTE: Photoejection cannot occur if h < because the photon brings insufficient
energy.
At almost the same time, G.P. Thomson, working in Scotland, showed that a beam of
electron was diffracted when passed through a thin gold foil. Electron diffraction is the
basis for special techniques in microscopy used by biologists and materials scientists.
The French physicist Louis de Broglie when, in 1924, he suggested that any particle, not
only photons, travelling with a linear momentum p should have (in some sense) a
wavelength given by the de Broglie relation:
h
= Equation 9
p
Where
is wavelength
p is linear momentum
A characteristic
property of waves is
that they interfere
with one another,
giving a greater
displacement where
peaks or troughs
coincide, leading to
constructive
interference, and a
smaller displacement
where peaks coincide
with troughs, leading
to destructive
Figure 1.4 interference (a)
constructive, (b)
destructive).
Electron microscopy - in which a beam of electrons with a well defined de Broglie wavelength
replaces the lamp found in traditional light microscopes.
In transmission electron microscopy (TEM), the electron beam passes through the specimen
and the image is collected on a screen. The samples must be very thin cross-sections of a
specimen.
Resolution: 2 nm
In scanning electron microscopy (SEM), electrons scattered back from a small irradiated area
of the sample are detected and the electrical signal is sent to a video screen. An image of the
surface is then obtained by scanning the electron beam across the sample. The samples must
be dry.
Resolution: 50 nm
A consequence of these requirements is that neither technique can be used to study living cells
Niels Henrick David Bohr was one of the foremost scientists of modern physics, best
known for his substantial contributions to quantum theory and his Nobel Prize winning
research on the structure of atoms.
In 1913, Bohr proposed a theory for the hydrogen atom based on quantum theory that
energy is transferred only in certain well-defined quantities. Electrons should move around the
nucleus but only in prescribed orbits. When jumping from one orbit to another with lower energy,
a light quantum is emitted. Bohr's theory could explain why atoms emitted light in fixed
wavelengths.
Figure 1.5
Atomic Model
Bohr proposed his quantized shell model of the atom to explain how electrons can have
stable orbits around the nucleus. The Bohr model shows the atom as a small, positively charged
nucleus surrounded by orbiting electrons. He was the first to discover that electrons travel in
separate orbits around the nucleus and that the number of electrons in the outer orbit
determines the properties of an element.
1. Electrons revolve around the nucleus in circular path, which are known as "orbits" or
"energy level.
Figure 1.6
2. Energy of an electron in one of its allowed orbits is fixed. As long as an electron remains
in one of its allowed orbit, it cannot absorb or radiate energy.
3. If an electron jumps from lower energy level to a higher energy level, it absorbs a definite
amount of energy.
Figure 1.7
4. If an electron jumps form higher energy level to a lower energy level, it radiates a definite
amount of energy.
Figure 1.8
5. Energy released or absorbed by an electron is equal to the
difference of energy of two energy levels. Let an electron jumps
from a higher energy level E2 to a lower energy level E 1.The
energy is emitted in the form of light.
E = E2 E1
Equation 10
E2 E1 = h
nh
Mvr = 2 Equation 11
Where: n = 1, 2, 3
m = mass of electron
v = velocity of electron
r = radius of orbit
Bohr model could not explain those atoms which have more than one electron like
lithium, helium. This model was applicable only for those atoms which have one
electron.
Bohr theory explained only spherical orbits. There was no explanation for elliptical orbits.
This model failed to explain Zeeman Effect and stark effect.
Bohr model could not explain the uncertainty principle of Heisenberg.
Bohr model was not related with classification and periodicity of elements.
By using Bohr atomic model, one cant explain the intensity of spectrum line.
Bohr model could not explain the wave nature of electron. It explained only particle
nature of electron.
1900 - Max Planck proposed the theory about black body radiation.
1905 - Albert Einstein wrote the paper, "On a Heuristic Viewpoint Concerning the
Production and Transformation of Light," which proposed the idea of energy
quanta dealing with the photoelectric effect.
1913 - Neils Bohr proposed atomic structure theory.
1921 - Max Planck won the Mobel Prize in Physics for his discovery and explanation
of the law of the photoelectic effect.
1922 - Stem-Gerlach Experiment (verified the space quantization theory.
1923 - Heisenberg developed the Heisenberg Uncertainty Principle. Also, Wolfgang
Pauli developed the fourth quantum number - spin number.
1924 - Louis De Broglie published his doctoral thesis which introduced his theory of
electron waves.
1933 - Otto Stern measures the magnetic moment of the proton. Also, Scrodinger
wins the Nobel Prize for his Scrodinger Equation.
1936 - Publishes paper on wave mechanics and Scrodinger Equation.
1940 - Pauli proves Spin-Statistic Theorem.
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ABANADOR, AGUSTIN, ALAYON, ARELLANO, ARELLANO, CANOVAS, CARANDANG, COLCOL, DELMO, 1
ENGAY, FRANCO, GUILLANO, GUINHAWA 2
QUANTUM MECHANICS
Erwin Scrodinger
In 1926, at the University of Zurich, published a seties of 4 papers
-Wave Mechanics & Scrodinger's Equation
-Solved Quantum Harmonic Oscillation,
-Compared his approaches to Heisenberg
He also conducted the Scrodinger's Cat Thought Experiment in 1935.
Max Planck
Emission of light from hot objects (objects appear black before heating)
Interpolated between the laws of Wien and Rayleigh-Jeans
Assumed that energy exists in individual units (discrete bundles)
Werner Heisenberg
Won Nobel Prize in 1932 in Physics for the creation of quantum mechanics,
the application of which has, inter alia, led to the discovery of the allotropic
forms of hydrogen.
He pointed out that it is impossible to know both the exact position and the
exact momentum of an object at the same time. Applying this concept to the
electron we realize that in order to get a fix on an electrons position at any
time, we would alter its momentum.
Invented Matrix Mechanics
Formulated the Copenhagen Interpretation of Quantum Mechanics with Bohr
Proposed Proton-Neutron model of atomic nucleus
This principle is significant for the fact that it explains why matter occupies
space exclusively for itself and does not allow other material object to pass
through it, at the same time allowing lights and radiation to pass. It states
that two identical fermions may occupy the same quantum state
simultaneously. A more rigorous statement of the principle is that for two
identical fermions, the total wave function is anti- symmetric.
Derived observed spectrum of H2
Proved Spin-Statistics Theorem
Emission of light from hot objects (objects appear black before heating)
How does the intensity of the electromagnetic radiation emitted by a black body depend
on the frequency of the radiation and the temperature of the body?
Interpolated between the laws of Wien and Rayleigh-Jeans
Assumed that energy exists in individual units (discrete bundles)
Plancks Contributions
Equation 12
E=hv Equation 13
Where,
E is energy
h is Plancks constant
v is frequency
Neils Bohr
Introduced his concepts by borrowing ideas from quantum physics (Max Planck) in 1913
Presented a model of atomic structure that still stands true today
Started by assuming that electrons move in circular orbits around the nucleus
Determined that chemical properties of an element are determined by the number of
electrons in its outer shell
Idea that an electron can drop from a higher-energy level to a lower one, emitting a
photon
Also determined that:
Electron exists a certain distance from the nucleus
Electrons have circular orbits
No energy is given off if an electron stays in one location
Received Nobel prize in 1922 for physics
Flaws
His assumptions about the energy given off when an electron drops to a lower-
energy level only stands true for hydrogen (other elements are too large)
Problem with describing an electron merely as a small particle circling the nucleus
Broglies Equation
Equation 14
Equation used to describe the wave properties of matter, specifically, the wave nature of
the electron
The de Broglie relation shows that the wavelength is inversely proportional to the
momentum of a particle and that the frequency is directly proportional to the kinetic
energy of the particle
Albert Einstein
Won the Nobel Prize in Physics in 1921 for his discovery and explanation of the law of
the photoelectric effect
Widely regarded as one of the greatest physicists of all time
Formulated the theory of relativity and made significant contributions to quantum
mechanics and statistical mechanics
Also famous for formulating E = mc2
The photoelectric effect is the emission of electrons from matter upon the absorption of
electromagnetic radiation, such as ultraviolet radiation or x-rays
When light shines on a metal surface, the surface emits electrons
A polished, negatively charged piece of metal such as zinc will lose its charge if it is
exposed to ultraviolet light. This phenomenon is called the photoelectric effect
Ekin = h f W Equation 15
In 1905, Einstein's work predicted that the energy of the ejected electrons would
increase linearly with the frequency of the light
Quantum Mechanics is a branch of Physical Chemistry dealing with the properties and
structures of atoms and molecules.
The Schrodingers
Mechanics
is a is based on
in terms of the is a
the
Probability of Physical
Varibles Time Independent
Equation
used for calculating
Eigenvalues
Since the probability must be = 1 for finding the particle somewhere, the wave function must be
normalized. That is, the sum of the probabilities for all of space must be equal to one. This is
expressed by the integral
dr=1 Equation 16
[ h2 2
2
8 m ]
+ E p (x , y , z , t) =
h
2 i t
Equation 17
[ ]
2
h
2
2 + E p ( x , y , z ) ( x , y , z)=E ( x , y , z ) Equation 18
8 m
which becomes:
^ Equation 19
H =E
TRIVIA:
Showbiz news!
Erwin Schrdinger had a long, happy, and very open marriage with Annemarie Bertel,
the daughter of his chemistry professor when he was studying at Technical College of Vienna.
He even kept a detailed log of his different and numerous sexual adventures with women he
slept with. This included a teen-aged girl he seduced and impregnated while acting as her math
tutor. He had children by at least three from different mistresses, including a daughter by Hilde
March, the wife of his colleague Arthur March, who was himself a lover of Schrdinger's wife.
He is considered as the Father of Quantum Mechanics
5. A crater in the moon was named after him. Its name is the Lunar Crater Schrdinger
(75.0 S; 132.4 E, 312 km. diameter)
6. A main belt asteroid was named after him. Its name is 13092 Schrdinger.
Equation 22
Equation 23
Figure 1.12
Suppose that in the wavefunction A = B, the resulting equation is
Equation 24
Equation 25
Figure 1.13
The locations where the probability density is zero correspond to nodes in the wave function:
particles will never be found at the nodes.
Equation 27
Equation 28
Equation 8
Energy eigenvalue equation, states that if the physical system has the energy E at the initial
time, then at any subsequent time it will have the same energy. The stationary Schrdinger
equation is the fundamental equation of the microscopic world with definite energies, e.g.
molecules, atoms, nuclei, etc
All the quantum mechanical operators that correspond to observables have a very special
mathematical property called Hermitian.
Equation 29
To say that two different functions i and j are orthogonal means that the integral (over all
space) of their product is zero:
Equation 30
Classical mechanics shows that the position and momentum of a particle could be specified
simultaneously with arbitrary precision.
Quantum mechanics - shows that position and momentum are complementary, and that we
have to make a choice: we can specify position at the expense of momentum, or momentum at
the expense of position.
APPROXIMATION METHOD
VARIATIONAL METHOD
In quantum mechanics, the variational method is one way of finding
approximations to the lowest energy eigenstate or ground state.
PERTURBATION THEORY
It is related to mathematical perturbation for describing a complicated
quantum system in terms of a simpler one.
The idea starts with a simple system for which a mathematical solution is
known, and add an additional "perturbing" Hamiltonian representing a weak
disturbance to the system.
Equation 32
Equation 33
Equation 34
Matrix Element
Equation 35
2 The perturbation appears (as its square) in the numerator; so the stronger
the perturbation, the greater the lowering of the ground-state energy.
3 If the energy levels of the system are widely spaced, all the denominators are
large, so the sum is likely to be small; in which case the perturbation has little
effect on the energy of the system: the system is 'stiff', and unresponsive to
perturbations. The opposite is true when the energy levels lie close together.
Equation 38
The size of the transition dipole can be regarded as a measure of the charge
redistribution that accompanies a transition.
REFERENCES