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Quantum Mechanics
2k 2
that obeys equation 1: .
2m
• A second derivative with respect to x brings out a –k2, and a single derivative
with respect to t brings out an :
2 ( x, t )
k 2
A cos(kx t ) B sin(kx t )
x 2
( x, t )
A sin(kx t ) B cos(kx t )
t
2
• If we multiply the spatial derivative term by that will give the left side of
2m
equation 1.
• We can almost get the right side of equation 1 by multiplying by , but the
time derivative term is a little tricky because the first term has become a sine
function while the second term became a negative cosine. We need a factor C
such that A cos(kx t ) B sin(kx t ) C A sin(kx t ) B cos( kx t )
Copyright © 2012 Pearson Education Inc.
The Schrödinger Equation
• Clearly A = –BC, and B = CA will do the trick. Thus, A = –C2A, which means
C2 = –1, so C 1 i .
2 x, t x, t
2
U
x x , t i
(general 1D Schrodinger equation)
2m x 2
t
• This equation can be thought of as an expression of conservation of energy,
K + U = E. Inserting ( x, t ) Aeikx t , the first term is K times ( x, t ) .
2 x, t
2
2 2 k 2 p2
(ik ) x, t
2
x, t x, t
2m x 2
2m 2m 2m
• Likewise, the term on the RHS is E times ( x, t ) .
x, t
i i(i ) x, t x, t
t
• For a particle in a region of space with non-zero U(x), we have to add the
term U(x)(x, t) on the left to include the potential energy.
• Let’s write the wave function in separable form, where the lower-case (x)
is the time-independent wave function.
( x, t ) Aeikx e it ( x)e it
E / ( x, t ) ( x)e iEt /
• Further, we can write , so that .
Copyright © 2012 Pearson Education Inc.
The Schrödinger equation in 1-D: Stationary states
• For such a stationary state the probability distribution function |(x, t)|2 = |
(x)|2 does not2 depend on time, which you can see by
x, t x, t * x, t x e iEt / * x eiEt / ( x )
2
2
U x x E x (time-independent 1D Schrodinger equation)
2m dx
where the time derivative has been explicitly taken on the RHS.
• We will spend most of the rest of the lecture on solving this equation to find
the stationary states and their energies for various situations.
• Note: The term stationary state does not refer to the motion of the particle it
represents. The particles are not stationary, but rather their probability
distribution function is stationary (does not depend on time), rather like a
standing wave on a string.
• Example 40.2: Stationary state: Consider the wave function x A1e ikx
A2 e ikx
2m 2
dx 2m dx 2m 2m
Copyright © 2012 Pearson Education Inc.
Particle in a box
• As a first approximation to an electron bound to a hydrogen atom, consider a
“particle in a box,” i.e. a particle of mass m confined to a region between x = 0
and x = L. The potential energy is zero inside the “box” and infinite outside
(see figure at lower right). The equation inside the box will be the same as for a
free particle (U(x) = 0), but if it has finite total energy, then it cannot exist
outside the box. This changes the solutions due to the boundary conditions.
2
U 0 x E x (for x 0)
2m dx
2 d x
2
E x (for 0 < x L)
2m dx 2
2 d x
2
U 0 x E x (for x > L)
2m dx 2
Copyright © 2012 Pearson Education Inc.
Particle in a finite potential well I
• We already saw that for the middle (well) region, the solution is
x A cos kx B sin kx
with energy, E 2 k 2 2m , so we can write k in terms of E as k 2mE , and
the solution is 2mE 2mE
x A cos x B sin x
• However, we cannot assume the same boundary conditions as for the infinite
well. It turns out the wave function can exist outside the well! There we have
the equation
2 d x d 2 x 2m U 0 E
2
2
E U 0 x or 2
2
x
2m dx dx
• For a bound particle, E < U0 so the quantity on the right is positive. That make
the solution an exponential, not a wave! Writing 2m(U 0 E ) , we have
the general solution x Ce x De x
• Now, for x < 0, the second term grows to infinity, which is not a physical
solution, so we must have D = 0. Likewise, for x > L the first term grows to
infinity, so in that region we must have C = 0.
• Joining all of these together will allow us to find the values of A, B, C and D.
Copyright © 2012 Pearson Education Inc.
Particle in a finite potential well I
• For a single solution to the entire problem, we must have the solution at the
boundaries join smoothly, i.e. at x = 0, and at x = L, both the functions and their
first derivatives must have the same values. We will not go into the details of
this matching procedure, which requires solving transcendental equations by
numerical approximation, but this matching can only be done for specific
values of the energy E.
• The figures below show some solutions for the wave-function (at left) and the
probability distribution function (at right) for three energy levels. Note that
there is a finite probability that the particle will be outside the potential well
(the exponential tails of the probability distribution function).
http://en.wikipedia.org/wiki/Finite_potential_well
Copyright © 2012 Pearson Education Inc.
Potential barriers and tunneling
• Figure 40.19 (below left) shows a potential barrier. In Newtonian physics, a
particle whose energy E is less than the barrier height U0 cannot pass from the
left-hand side of the barrier to the right-hand side.
• Figure 40.20 (below right) shows the wave function (x) for such a particle.
The wave function is nonzero to the right of the barrier, so it is possible for the
particle to “tunnel” from the left-hand side to the right-hand side.
• The tunneling probability T is given (in the limit of small T) as:
E E 2m(U 0 E )
T Ge 2 L where G 16 1 and
U0 U0 2
2
2 k x x E x or 2
( 2 k x E ) x 0
2m dx 2m dx
• The solutions to this should be finite within the well, and asymptotically fall to
zero outside the well. The energies turn out to be quantized according to:
En n 12
k
m