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Quantum Chemistry PDF
Quantum Chemistry PDF
the energy diference between level corresponding to3 and 2 node eigen imcton, fora
mi
particle of mass ‘m’ ina I-D box of length /is [GATE 2004]
node number = n=
er
For 3-1 =4, B=
‘or Ssnodesn=4, B= 9p
er
node; n=3, Ey=———
And for2-node; n=3, B=— 7ParticleinaBox Part
ae se
=o = (16-9
8mé> me? (16-9)
4. Find the first excited state wave fietion for a particle in abox that spans ffom-ato +a. [GATE : 2006]
Sola. Fora particle ina box from ato ta, Soln.
Wave functions
To { na
x)= [sin] 2
v.ta)=fEsin()
For the excited state, n=2. Then
i (2)
y=-sin| =
aka
: 05h
5. Plotthe graph ofa wave function aving energy —=>~.
a
= ean?
‘This coresonsto ist excited slatehaving | noes at ¥=5 9.
6, Tfaclectronescaped in a 1-D box of length 1A having energy 608.4 eV, plot it’s graph.
ASE Soln
whe 9
Son, y= 6084x1.6x10" Joule
608.4%1.6%10-? x8x9.1x10' x(10™)
ns
(60x10 =16.17
n=Ji6.17 =4
7. Apatticle is confined to a 1-D box oflength I mm. Ifength is changed by 10.” im, the % ofchange in energy
in the ground state. Sayey 7 [GATE-2008] 10.
aed 1
Soln. Percentage of change in energy inthe ground state: “100; um
ee
|aB}x100 4m?
% ofchange inenergy = [e}x100 ame
E wi
ie i,
2g - 4 (- 4
= [prelo? x100= 2x10 (-4e=10")
8 Considera ball ofmass 1 g moving with aspeed | ems‘ ina one dimensional box of edge length equal to
1ocm. Soln
(1) Caloulate its kinetic energy and the number n corresponding to this kinetic energy.iS
Partcleinao«
(2) Ifthe ballis to be promoted to the next higher qunatum level, then how much of energy s required ?
Formthe obtained value justify that the kinetic energy of. larger mass varies in a continuous manner and
can be calculated from the classical mechanical laws of Newton,
Uy) esa ale) eee 2 mns"y?
Sola. (1) Kinet energy ofthe ball (mv 5 |(U0°ke)(10" ms")? = 0,5 x 10-7 kg mts? =0.5 « LO".
Since,
(0.5107 JY8\LO"'m)* is
Theref ae 2 FBR) OO AO LEO ay CORD) <9, 11310
an @IBF mk (6.62610 sy
R
Q) Now, Af=£,,,-£, =(2n+1)
8Pm
(6.62610 Js)
= (2% 3.02510 1) 6626-10 J)" | 3
( {een Poa
9, Anelectron is confined ina 1-D box of length of 1A. Ifelectron fall from first excited state to ground state,
what energy it will emitt?
Soln. Length ofbox, (= 1A =107 m
PRR
Energy of I" excited state, E, = ——> =
Bml™ &ml
ae
Energy of 2" excited stat a
rey of 2* excited state, Hy = 5 = ae
=(4-)—
8me
= (3x37.6)eV =112.8 eV
10, Aball ofmass 1 gm confine:
(principle quantum nuriiber
Soln, We know the energy of l-D box = It’s kinetic energy.
we Ly
8me? 2
4(10°)' x(0.01)' x(0.1)°
(6.627x10*)"
= 9.13107
n= 9x10"
(Quantum numbern is very very large. It is not possible to calculate the difference between successive energy
level. So, itis not possible to observe quantization in the energy level .
IL An electron of mass “m’ is confined to a one dimensional! box of length ‘b’. If it makes a radiative transi-
tion from second excited state to the ground state, the frequency of the photon emitted is
oh. 3h h
(@ Smb? ) Smb? One (@)
Soln Energy for one-dimensional box is
a GATE 2010]
mb? fevParticle ina Box
12.
Soln.
R
For ground state(n=1), B,= gg
one
For second excited state (n=3), By = oy
one 8
AE=E,~E,=—-— =
3 Sab Bb Bnd?
B
“nb
Since, we know that, AB = hy
v h
Ivey = y=
ee
Correct option is (¢)
‘The wavefunction fora quantum mechanica partical ina 1-D box oflengtha’is given by y = Asin™*. The
: a
valueof ‘4’ fora box of length 200 nm is IGATE : 2011]
(a) 4x 10% (rm)? (b) 102 (nm)! (e) V2 O(mm)!*@).0.1(nm)"*
Given that fumetion v= Asin = (= a= 200mm) ¢
Fornormalized, wavefunction
fi asin™ asin ae =1
J a @
Correct answeris (4),
Particle in Two dimensional Box
‘The mathematical form of potential for 2-D box:
V(xy)=0 O