8. LECT9 - Schrodinger WAVE EQN PDF

Title 8. LECT9 - Schrodinger WAVE EQN
Course Introduction to Physical Chemistry
Institution University of Surrey
Pages 2
File Size 106.3 KB
File Type PDF
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Download 8. LECT9 - Schrodinger WAVE EQN PDF


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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...


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