1549380323-Statistical Mechanics Theory and Molecular Simulation

(jair2018) #1
Problems 391

a. Determine the eigenvalues and eigenvectors ofHˆ.

b. Suppose the system is prepared with an initial state vector

|Ψ(0)〉=

(


1


0


)


.


Determine the state vector|Ψ(t)〉at timet.

c. Determine the expectation values of the operatorsSˆx,Sˆy, andSˆzin the
time-dependent state computed in part b.

d. Suppose, instead, the system is prepared with an initial state vector

|Ψ(0)〉=


1



2


(


1


1


)


.


Determine the state vector|Ψ(t)〉at timet.

e. Using the time-dependent state computed in part d, determine the fol-
lowing expectation values:〈Ψ(t)|Sˆx|Ψ(t)〉,〈Ψ(t)|Sˆy|Ψ(t)〉,〈Ψ(t)|Sˆz|Ψ(t)〉.

f. For the time-dependent state in part d, determine the uncertainties ∆Sx,
∆Sy, and ∆Sz, where ∆Sα =


〈Ψ(t)|Sˆα^2 |Ψ(t)〉−〈Ψ(t)|Sˆα|Ψ(t)〉^2 , for
α=x,y,z.

9.3. Consider a free particle in a one-dimensional box that extends fromx=
−L/2 tox=L/2. Assuming periodic boundary conditions, determine the
eigenvalues and eigenfunctions of the Hamiltonian for this problem. Repeat
for infinite walls atx=−L/2 andx=L/2.


9.4. A rigid homonuclear diatomic molecule rotates in thexyplane about an axis
through its center-of-mass. Letmbe the mass of each atom in the molecule,
and letRbe its bond length. Show that the molecule has a discrete set of
energy levels (energy eigenvalues) and determine the corresponding eigen-
functions.


9.5. Given only the commutator relation between ˆxand ˆp, [ˆx,pˆ] =i ̄hIˆand the
fact that ˆp→−i ̄h(d/dx) when projected into the coordinate basis, show that
the inner product relation


〈x|p〉=

1



2 π ̄h

eipx/ ̄h

follows.

9.6. Using raising and lowering operators, calculate the expectationvalue〈n|ˆx^4 |n〉
and general matrix element〈n′|xˆ^4 |n〉for a one-dimensional harmonic oscilla-
tor.

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