Quantum Mechanics Flashcards
Quantum chemistry and its application to spectroscopy
Classical experiments
Principle of quantum mechanics
Molecular orbital theory
Molecular spectroscopy
Black body radiation
Thermal electromagnetic radiation within or surrounding a body in thermodynamic equilibrium with its environment, or emitted by a blackbody
Radiant excitance
Glowing radiation caused by the heating up a a material i.e. Tungsten filament
Blackbody
A perfect absorber that is a substance that absorbs all frequencies of light and emits none; it would be black
Quanta
Discrete units of light energy; the energy of a quantum was directly proportional to a frequency of an oscillator; E = hv
Photoelectric effect
e- are mutter from a metal when the metal is irradiated with visible/ UV radiation
Photoelectric effect 1st observation
Below a given cutoff frequency of incident radiation, no e- were ejected from the metal surface, no matter how intense the radiation
Photoelectric effect 2nd observation
Above the cutoff frequency, the # of e- emitted was directly proportional to the intensity of the radiation
Photoelectric effect 3rd observation
As the frequency of the incident radiation increased, the maximum velocity of the ejected e- increased
Photons
Light particles
Einsteins Equation for photoelectric effect
ha = 1/2•mv^2 + w, w = working energy, 1/2•mv^2 = kinetic energy of emitted electron
Dual nature of radiation
Light can be both a particle and a wave; wavelength = h/p = h/mv,
p = momentum, h = Planck’s constant
Planck’s constant
6.626x10^-34 J/s
Heisenberg uncertainty principle
It is impossible to simultaneously measure the momentum and position of a particle such as an e-, because performing one measurement would disturb the particle and prevent the accurate measurement of the 2nd quantity
Heisenberg uncertainty principle expression
dq•dp > h/4pi; the product of the uncertainty of the position (dq) and the uncertainty of the momentum (dp) is greater than h/4pi
Principles of quantum mechanics
Has 5 postulates
1st postulate of quantum mechanics
The physical state of a particle can be fully described by a wave function of type x,y,z,t
2nd postulate of quantum mechanics
The x,y,z,t wave functions are obtained by solving the appropriate schrodinger equation.
Shrodinger equation: for time-independent systems
h^2/8pim• 💎^2¥ + [E-V(r)]¥ =0, 💎= laplacian operator in units m^-2 V = potential energy ¥ = position-space wave function m^-3/2 E = energy in J h = Planck's constant M = mass in kg
3rd postulate of quantum mechanics
Every dynamic variable that correlates with a physically observable property is expressed as a linear operator
4th postulate of quantum mechanics
Operators that represent physical properties are derived from the classical expressions for these properties
5th postulate of quantum mechanics
The eigenvalues obtained by solving the appropriate schrodinger equation represent all possible values of an individual measurement of the quantity in question
Operators
Represented with a circumflex accent over the symbol that represents the variable in interest
Shrodinger equation
A complex wave function used to describe the quantum mechanical state of a particle
Probability density (w)
The probability of finding a particle at time t at a give position r = x,y,z in a volume dV;
w = |¥|^2dV
Time-dependent wave function
Used to describe the harmonic wave motion of a free particle
Time dependent wave function
¥(r,t) = (a)e^i[wt-(k•r)]; a = amplitude in units of m^-3/2 i = imaginary unit =(sqrt(-1)) w = frequency k= wave number vector r = radius vector describing the position of the particle in space
Eigenfunctions
Solutions to the schrodinger equation, and they exists only for specific eigenvalues of energy
Eigenvalues
The totality of them for E yields the tire energy spectrum of the particle
Harmonic oscillator
A particle that has mass m which, under the influence of a linearly applied force, will move in one or several directions with a frequency of w0
Schrodinger equation for one-dimensional harmonic oscillator
d^2¥/dx^2 + 8pim/h^2•[E-(mw0^2/2)x^2]¥ = 0
Zero point energy
The lowest energy possible for the harmonic oscillator
Harmonic oscillator is used to model:
The vibrations of atoms and molecules
The lattice vibrations of crystalline materials