Quantum Chemistry-undergraduate-Atkins and Friedman book as the source-Part-7
Transcript of Quantum Chemistry-undergraduate-Atkins and Friedman book as the source-Part-7
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Main headlines
Realistic versus model potentials: Eckart barrier Confined particles and quantization: particle
in box Correspondence principle and the classical
limit Zero-point energies Degeneracy and symmetry
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Model versus realistic potentials
• For most potentials Schrödinger equation can not be solved “analytically”.
• Analytical solution is a series with a finite number of terms
• Model potentials are employed since there are analytical solution for corresponding Schrödinger equation
• In some rare cases analytical solutions may be found also for realistic potentials
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Transmission coefficients
• Tunneling and anti-
tunneling are both seen in this case
• Curve 2 corresponds to a larger mass than curve 1
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Particle in an infinite well (particle in box): Simplest model potential
• Since the particle is confined, the energies are quantized
• The boundary condition determines which energies are permitted
• Since the potential energy is infinite out of the box, no penetration is possible
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Classical view
• No forces acts inside the box so the particle moves with a constant speed inside the well
• When particle collides with the wall an infinite force is exerted on it and the direction of motion is reversed instantaneously
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Particle in a two-dimensional infinite well
• The boundary conditions are that the wavefunction must vanish at all four walls