Basics of Quantum Mechanics

Dragisca Walesk
Post-Graduating Course
Arizona State University
 Porque Teoria Quântica?

• A mecânica clássica (mecânica de Newton) e as equações de

Maxwell (teoria eletromagnética) podem explicar fenômenos
MACROSCÓPICOS como o movimento de bolas de bilhar ou
foguetes.
• A mecânica quântica é usada para explicar fenômenos
microscópicos, como espalhamento de fóton-átomo e fluxo de
elétrons em um semicondutor.

• A MECÂNICA QUÂNTICA é uma coleção de postulados baseados

em um grande número de observações experimentais. As diferenças
entre a mecânica clássica e a mecânica quântica podem ser
compreendidas examinando ambas
– O ponto de vista clássico
– O ponto de vista quântico
 Basics of Quantum Mechanics
- Classical Point of View -

• Na mecânica newtoniana, as leis são escritas em termos de TRAJETÓRIAS DE

PARTÍCULAS.

• Uma PARTÍCULA é um objeto de ponto de massa indivisível que possui uma

variedade de propriedades que podem ser medidas, que chamamos de
observáveis. Os observáveis especificam o estado da partícula (posição e
momento).

• Um SISTEMA é um conjunto de partículas que interagem entre si por meio de

forças internas e também podem interagir com o mundo exterior por meio de
forças externas. O ESTADO DE UM SISTEMA é uma coleção dos estados das
partículas que compõem o sistema.
• Todas as propriedades de uma partícula podem ser conhecidas com precisão
infinita.

• Conclusões:
• TRAJETÓRIA - descritor de estado da física newtoniana,
• EVOLUÇÃO DO ESTADO - Use a segunda lei de Newton
• PRINCÍPIO DA CAUSALIDADE - Dois sistemas idênticos com as mesmas
condições iniciais, sujeitos à mesma medição, produzirão o mesmo resultado.
 Basics of Quantum Mechanics
- Quantum Point of View -

• Partículas quânticas podem atuar tanto como partículas quanto

como ondas  DUALIDADE ONDA-PARTÍCULA

• O estado quântico é um conglomerado de vários resultados

possíveis da medição de propriedades físicas  A mecânica
quântica usa a linguagem da teoria PROBABILIDADE (chance
aleatória)

• Um observador não pode observar um sistema microscópico sem

alterar algumas de suas propriedades. Nenhum dos dois pode
prever como o estado do sistema mudará.

• A QUANTIZAÇÃO da energia é outra propriedade das partículas

"microscópicas".
 Basics of Quantum Mechanics
- Heisenberg Uncertainty Principle -

• Não se pode especificar inequivocamente os

valores da posição da partícula e seu momento
para uma partícula microscópica, ou seja,

x(t0 )  p x (t0 )  1 h
2 2
• A posição e o momento são, portanto,
considerados como variáveis incompatíveis.
• O princípio da incerteza de Heisenberg atinge o
cerne da física clássica => a trajetória da
partícula.
 Basics of Quantum Mechanics
- The Correspondence Principle -

Quando a física quântica é aplicada a sistemas

macroscópicos, ela deve ser reduzida à física clássica.
Portanto, os fenômenos não clássicos, como incerteza e
dualidade, devem se tornar indetectáveis. Niels Bohr
codificou esse requisito em seu princípio de
correspondência:
 Basics of Quantum Mechanics
- Particle-Wave Duality -

• O comportamento de uma partícula "microscópica" é

muito diferente de uma partícula clássica:
–  em alguns experimentos assemelha-se ao comportamento de
uma onda clássica (não localizada no espaço)
–  em outros experimentos se comporta como uma partícula
clássica (localizada no espaço)
• As teorias corpusculares da luz tratam a luz como se
fosse composta de partículas, mas não podem explicar
a DIFRAÇÃO e a INTERFERÊNCIA.
• A teoria da radiação eletromagnética de Maxwell pode
explicar esses dois fenômenos, razão pela qual a teoria
corpuscular da luz foi abandonada.
 Basics of Quantum Mechanics
- Particle-Wave Duality -

• Ondas como partículas:

– O trabalho de Max Plank sobre radiação de corpo negro, no qual ele assumiu que as
moléculas das paredes da cavidade, descritas usando um modelo de oscilador simples, só
podem trocar energia em unidades quantizadas.

– 1905 Einstein propôs que a energia em um campo eletromagnético não é espalhada por
uma frente de onda esférica, mas sim localizada em grupos individuais - quanta. Cada
quantum de frequência n viaja pelo espaço com a velocidade da luz, carregando uma
quantidade discreta de energia e momento =fóton => usado para explicar o efeito
fotoelétrico, posteriormente confirmado pelos experimentos de raios-x de Compton.

• Partículas como ondas

– Experimento da dupla fenda, no qual ao invés de usar uma fonte de luz, usa-se o canhão
de elétrons. Os elétrons são difratados pela fenda e então interferem na região entre o
diafragma e o detector.

– efeito Aharonov-Bohm
Assista o video a seguir:

http://www.youtube.com/watch?v=DfPeprQ7oGc
 Basics of Quantum Mechanics
- Blackbody Radiation -

• Known since centuries that when a material is heated, it

radiates heat and its color depends on its temperature
• Example: heating elements of a stove:
– Dark red: 550ºC
– Bright red: 700ºC
– Then: orange, yellow and finally white (really hot !)
• The emission spectrum
depends on the material
• Theoretical description:
simplifications necessary
Blackbody
 Blackbody?

• A material is constantly exchanging heat with its

surrounding (to remain at a constant
temperature):
– It absorbs and emits radiations
– Problem: it can reflect incoming radiations,
which makes a theoretical description more
difficult (depends on the environment)
• A blackbody is a perfect absorber:
– Incoming radiations is totally absorbed and
none is reflected
 Blackbody Radiation

• Blackbody = a cavity, such as a metal box with a small

hole drilled into it.
– Incoming radiations entering the hole keep
bouncing around inside the box with a
negligible change of escaping again through
the hole => Absorbed.
– The hole is the perfect absorber, e.g. the
blackbody Radiation emission does not
depend on the material the box is
made of => Universal in nature
 Two Catastrophes?
• Classical physics:

– Emission spectrum: a superposition of electromagnetic waves of

different frequencies
– Frequencies allowed: standing waves inside the cavity

• Equipartition of the energy:

– Every standing wave carries kT of energy

– Flaw: when → 0, the number of standing waves ↑, leading to E
→∞

• [Ultraviolet Catastrophe] Failure of classical theories:

– The work of Rayleigh-Jeans was considered as state-of-the-art,

using well tested theories, which were in very good agreement
with experimental results in many other circumstances.
– Need for a new theory…
 Basics of Quantum Mechanics
- Photoelectric Effect -

A Photocell is Used to Study the Photoelectric Effect

 Basics of Quantum Mechanics
- Photoelectric Effect -

Larger light intensity means larger number of photons at a given frequency (Energy)
 Basics of Quantum Mechanics
- Photoelectric Effect -

Larger frequency, means smaller wavelength, and larger Energy=hf.

 Basics of Quantum Mechanics
- Photoelectric Effect -

– The photoelectric effect provides evidence for

the particle nature of light.
– It also provides evidence for quantization.
– If light shines on the surface of a metal, there is
a point at which electrons are ejected from the
metal.
– The electrons will only be ejected once the
threshold frequency is reached .
– Below the threshold frequency, no electrons are
ejected.
– Above the threshold frequency, the number of
electrons ejected depend on the intensity of the
light.
Basics of Quantum Mechanics
- Aharonov – Bohm Effect -
 Basics of Quantum Mechanics
- What is Quantum Mechanics? -

• Quantum Mechanics is nothing more but

linear algebra and Hilbert spaces
• What makes quantum mechanics quantum
mechanics is the physical interpretation of
the results that are obtained
 Basics of Quantum Mechanics
- First Postulate of Quantum Mechanics -

Quantum physicists are interested in all kinds of physical systems

(photons, conduction electrons in metals and semiconductors,
atoms, etc.). State of these rather diverse systems are represented
by the same type of functions  STATE FUNCTIONS.

First postulate of Quantum mechanics:

Every physically-realizable state of the system is described in
quantum mechanics by a state function  that contains all
accessible physical information about the system in that state.

– Physically realizable states  states that can be studied in laboratory

– Accesible information  the information we can extract from the
wavefunction
– State function  function of position, momentum, energy that is
spatially localized.
 Basics of Quantum Mechanics
- First Postulate of Quantum Mechanics -

If 1 and 2 represent two physically-realizable states of the system,

then the linear combination
  c11  c 2  2
where c1 and c2 are arbitrary complex constants, represents a third
physically realizable state of the system.

Note:
Wavefunction (x,t)  position and time probability amplitude

Quantum mechanics describes the outcome of an ensemble of

measurements, where an ensemble of measurements consists of a
very large number of identical experiments performed on identical
non-interacting systems, all of which have been identically prepared
so as to be in the same state.
 Basics of Quantum Mechanics
- Second Postulate of Quantum Mechanics -

If a system is in a quantum state represented by a wavefunction ,

then
2
PdV   dV
is the probability that in a position measurement at time t the particle
will be detected in the infinitesimal volume dV.

Note:
2
 ( x, t )  position and time probability density

The importance of normalization follows from the Born interpretation

of the state function as a position probability amplitude. According to
the second postulate of quantum mechanics, the integrated
probability density can be interpreted as a probability that in a
position measurement at time t, we will find the particle anywhere in
space.
 Basics of Quantum Mechanics
- Second Postulate of Quantum Mechanics -

Therefore, the normalization condition for the

wavefunction is:
2 *
 PdV    ( x , y , z ) dV   ( x, y, z ) ( x, y, z )dV  1

Limitations on the wavefunction:
– Only normalizable functions can represent a quantum
state and these are called physically admissible
functions.
– State function must be continuous and single valued
function.
– State function must be a smoothly-varying function
(continuous derivative).
 Basics of Quantum Mechanics
- Third Postulate of Quantum Mechanics -

Third Postulate:
Every observable in quantum mechanics is represented by an operator which is used to
obtain physical information about the observable from the state function. For an
observable that is represented in classical physics by a function Q(x,p), the corresponding
 
operator is Q( x , p) .
Observable Operator

Position x
Momentum   
p
i x
Energy 
p2  2 2
E  V (x)    V ( x)
2m 2m x 2
 Basics of Quantum Mechanics
- More on Operators -
 An operator is an instruction, a symbol which tells us to perform one or more
mathematical acts on a function, say f(x). The essential point is that they act on a
function.
 Operators act on everything to the right, unless the action is constrained by brackets.
 Addition and subtraction rule for operators:
   
 
Q1  Q2 f ( x)  Q1 f ( x)  Q2 f ( x)
 The product of two operators implies succesive operation:
   

Q1Q2 f ( x)  Q1 Q2 f ( x) 
 The product of two operators is a third operator:
  
Q3  Q1Q2
 Two operators commute if they obey the simple operator expression:
         
 
Q1 , Q2  Q1Q2  Q2Q1  0  Q1Q2  Q2Q1
 Basics of Quantum Mechanics
- More on Operators -

The requirement for two operators to be commuting

operators is a very important one in quantum mechanics
and it means that we can simultaneously measure the
observables represented with these two operators. The
non-commutivity of the position and the momentum
operators (the inability to simultaneously determine
particles position and its momentum) is represented with
the Heisenberg uncertainty principle, which in
mathematical form is expressed as:

 1  
x  p   x , p
2 2
and can be generalized for any pair of observables.
 Basics of Quantum Mechanics
- Fourth Postulate of Quantum Mechanics -

1926 Erwin Schrödinger proposed an equation that describes the evolution of a quantum-
mechanical system  SWE which represents quantum equations of motion, and is of the
form:
 2  2  2 2  
  V ( x ) ( x , t )     V ( x )   ( x , t )  i
2m x 2 2
 2m x  t
This work of Schrödinger was stimulated by a 1925 paper by Einstein on the quantum
theory of ideal gas, and the de Broglie theory of matter waves.

Note:
Examining the time-dependent SWE, one can also define the following operator for the
total energy:
 
E  i
t
Examining the time-dependent SWE, one can also define the following operator for the
total energy: Basics of Quantum Mechanics
- Fourth Postulate of  Quantum
 Mechanics -
E  i
t

Fourth (Fundamental) postulate of Quantum mechanics:

The time development of the state functions of an isolated quantum system is governed
   
by the time-dependent SWE H  i / t , where H  T  V is the Hamiltonian of the
system.

Note on isolated system:

The TDSWE describes the evolution of a state provided that no observations are made.
An observation alters the state of the observed system, and as it is, the TDSWE can not
describe such changes.