Title | 8. LECT9 - Schrodinger WAVE EQN |
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Course | Introduction to Physical Chemistry |
Institution | University of Surrey |
Pages | 2 |
File Size | 106.3 KB |
File Type | |
Total Downloads | 41 |
Total Views | 131 |
Download 8. LECT9 - Schrodinger WAVE EQN PDF
INTRO TO SCHRODINGER WAVE EQUATION Dynamic of microscopic systems
Quantum mechanical view: o A particle is spread through space like a wave
Wavefunction (Ψ) details the behaviour of an electron-wave
Probability of finding an e- at a given pt in space = ψ2
Schrodinger wave eqn (1927)
Double partial differential eqn
TOTAL ENERGY = KINETIC ENERGY + POTENTIAL ENERGY (V)
o ET= ½mv2 + V =
V= potential energy
v= velocity = distance travelled/time – ms-1
The eqn can be represented as: ΗΨ=ΕΨ o Where H= Hamiltonian operator; E= energy; Ψ= wavefunction
Hamiltonian operator:
Only used in particle-in-a-box
Simple form of the Schrodinger eqn:
o
If there is no potential energy free particle
If there is potential energy stored (eg. Spring) chemical bond
If potential energy stored in electric attraction b/t a +vely & -vely charged particle (Coulombic potential) H-atom
Ψ in 3 cases:
Ψ for freely moving particle = sin(x) [sin curve]
Ψ for particle free to oscillate near a pt = e-x^2 [bond vibrating]
Ψ for e- in H-atom = e-r [r=distance from the nucleus]
Physical significance of Ψ
Born interpretation: probability of finding a particle in a small region of space of volume δV = proportional to Ψ2δV o Where Ψ=wavefunction in the region
Ψ2 probability density o Probability = probability density * volume of region of interest o Low Ψ2 value = small chance of finding the particle...