CI307

Department of Chemical Sciences

Practice Set 1
Tezpur University Chemistry, Lec 1-13
Chemistry - CI307, Int MSc, Sem V, Fall 2019 Solve as you wish

1. For a particle in a 1d Box between 0 ≤ x ≤ L

(a) Evaluate the energy expression and wavefunction.

p
(b) Show that the normalization constant is 2/L.
(c) Find hx̂p̂x i − hp̂x x̂i.
(d) What happens when L → 2L?
(e) Show that hψm |ψn i = δmn .

2. Which of the following wavefunctions are well-behaved and why?

2 1 1 tan x
ˆ e−x , sin x, tan x, 1/x, Γ(x), ie−ix , √ ,√ ,√ , −∞ ≤ e−|x| , e−1/x , esin(x) for (a)−∞ ≤
1−x 2 x−2 1−x 2
x ≤ ∞, (b)x > 0, c)x > 0, x ∈ Z
∂2 1 ∂2
3. Motion of an electron can be assumed to be wavelike whose dynamics is given by f (x, t) = f (x, t),
∂t2 v 2 ∂x2
where f (x, t) is a function describing the propagation of the wave with a velocity v in time (t) and space
(x), then

(a) Based on what argument can you transform the partial derivative into a full derivative?
(b) Using de Broglie’s relation, formulate time-independent Schrodinger’s equation from the above wave
equation.
(c) Using f (x, t) = ψ(x)f (t), show that f (t) = e−iEt/~ .
(d) Assuming f (t) = e−iωt , formulate the 1 dimensional time-dependent Schrodinger’s equation.

4. For a one electron system trapped in an infinite potential well such that (i) − L ≤ x ≤ L, (ii) − 2L ≤ x ≤
L/2, evaluate

(a) En , ψn (x) and

∗ (x)ψ (x)dx = δ
R
(b) Show that: limits ψm n mn , where δmn = 1 when m = n and δmn = 0, m 6= n
(c) Establish Heisenberg’s uncertainity principle.

5. Estimate the value of velocity of light if a hexadiene molecule absorbs at 245nm if rC=C = 133pm.
d d
6. Unseen: Show that i dx is Hermitian but dx is not.
d 2 d2
7. Unseen: Show that i dx 2 is not Hermitian but dx2
is.

8. What would be the total energy of six non-interacting electrons trapped in a 1D box.

9. Calculate the eigenvalues and eigenvectors for the following matrix and predict if it is hermitian:
 
1 −i
 = .
i 1
,  
i −1
 = .
1 −i

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