SIMPLE SOLUTIONS OF SCHRODINGER EQUATION Obarricur IN A BOX a (Particle in one dimensional infinite potential well) : Consider 2 free particle of mass m confined to move in one dimensional rectangular box of length L ie. the Par icle moves only along a straight line say along x-axis. Let the walls of the box be rigid, elastic and non-penetrable. Let the particle can travel along x-axis between x = 0 and x= L. Let the collision of the particle with the walls be elastic so it does not loose energy, Let us represent this by an infinite square well potential as shown in figure 4.1. ‘The potential V is defined as Vay = 0 for0L Classical view Classically, the particle can have any value of energy. If E = 0, the particle will be at rest inside the box and if E > 0, the particle will move along xeaxis and at x= 0 and x = L, it will experience a force dv =~] (ince V = ©, so F = ) in the direction opposite to its motion and is reflected from the walls and thus moves back and forth along x-axis. Quantum mechanical view The Schrodinger wave equation for the wave function of a particle moving along a straight line in’ the presence of external field is given by 2 Fig. 4.1 4 E_wy =0 ae ht For a free particle inside the well V = 0, so the above equation becomes 2, £¥ a ae oc ea(1) aah a or oe ey =0, (2) dx 2mE where R= 7 wn) The general solution Eq. (2) may be written as p (a) = Ae! + Bet, 105MODERN’S QUANTUM PHYSICS (B.Sc. II, PANJAB & PUN, May | 106 : constants to be determined by the bo where A and B are the jitions Boundary Comm P =O atx= 0 and atx = L | (i) Atx = 0. =0, So Eq. (A) becomes | A+B=0 or B=-A a So Eq. (4) becomes ya = undary conditions. Ac itt A eth = Aleit — oi] il kx or , where (i) Atx=L, y=0. So Eq. (6) becomes 0 =Csin kL or sinkL =0 | or EL = na, (n= 0, 1, 2. | ze | or oe -o| 202 a or Beate c Using Eq. (3), we get | 2mE we n?. nh? 2m? | where n is called quantum number. Since E depends on n so let us denote the energy of the partce by E,. Hence above equation can be written as e ee 8} or E= n 1 1 | ThusE, «7, Exe oy, Ey o | Energy level diagram (or Eigen values of energy) | For n= 1, the value of E,, will be minimum and is given by we ~ ome Ey su(10) ae This is called ground level energy and the state is called ground state. The energy corresponds to higher states is called excited energy and the states are called excited states. ‘These are given by 2a Ep =4E, E3 =9E;ear ws Pane 2mL? Ey = = 16E, and so on. , ‘Thus we find that the particle can have any vah i ; se quantised. These allowed vag any, Value of energy given by E, 4B}, 9Ey, 16Ey....Hence carrey i of energies of the parti led levels or eigen values of energy, shown in fig 4.2, and are not equally spat mae ticle are calle energy ige Eigen values of momentum : The linear momentum of any one of the allowed value E, is given by 2 Ph = 2m, E, #) Using Eq. (8), we get 2242 Pamala vp or Pn = a, (n= 0,1, yun) (11) Thus momentum is also quantized into discrete allowed values. Hence the momentum of a particle inside the box is () directly proportional to the quantum number n i.e. p, © 1 (ii) inversely proportional to the length L of the box i.e. py & : (iii) independent of the mass of the particle. Zero point energy The minimum possible energy possessed by the particle inside the box is called zero point energy. The energy of the particle inside will be minimum at n = 1 So zero point energy er ——— see Eq. E\ Imi ( iq. (9) Since E = 0 is not allowed because if E = 0, then y = 0 everywhere inside the box and then Probability density in the box | I? = 0 i.e. the particle is not in the box, hence E # 0. Hence, the particle can not have zero total energy inside the box, so it cannot be at rest in the box (quantum mechanically). Wave function. From Eq. (6), the wave function (x) of the particle inside the box is given by PG) =Cainbe Ao fe ON (12) Using Eq. (7), we get sin| me) yo) =C sin| = Probability density ra _ nax P =¥"@) YO) =C sn( Lc sag nsx or pep =C? sin? iisus) eee Oey Ea | jcle is 50 Since the probability density between x= 0 and x= Lis 1, because the PAricls 1S SONG Ree this boundary. : L. ie, Svtyde 21 0 L . or @ fin? ae ey ° 24 or = (1-cos2 eal 2 0 ‘ eye ok anax or Sf fom pede} = é 0 0 [ i 2ans 2 cos a, or S-g =1 0) 2 ginz~= or Cc L 2 or c= TL ‘Thus normalized wave function of the particle inside the well is given by = Pint vy ‘The normalized wave functions #1, 2 and 3 together with the probability densities ly. 1, yt p3?? are plotted in fig. 4.3 (a & b). Although ,, may be positive as well as negative but |y, HP | [ Fig. 4.3 always positive and since Yn is normalized, its yah , lue | findi i , . inding the particle there, In every case | v,P=0 at a given x is equal to the probability de"! atx=0 and x=L, the boundaries of the boypue SOLUTIONS OF SCHRODINGER EQUATION ‘lity of the particle bei 108 “he probabil Particle being pres .” ‘ies Present may be very different for different quantum numbers. ok Le 2 5 7 , Iai? =0 Gn the mide ofthe tox (maximum in the middle of the box) nd, Wt E 7 the Wat higher sine of geet 7 1 is most likely to be in middle ofthe box, while a re xa ete patil being anywhere Geltete: Classical physis, of cours, suggests the same eaample 1. particle is moving in one dimensioned potent infinite hei ” I arobability of finding the pantera potential box (of infinite height) of widih 25 A. fa lat the Pie least every, 8 the particle within an interval of SA at the centres of the box when jon. We kn i Salton We know that the wave functions of a particle enclosed with an infinite potential well is av y@= (Fant ‘when the particle is in the least energy state n = 1, hence in this case 2. ax yo =ypsa ‘atthe centre of the box x = L/2. The probability of findi a . centre of box is given by ity of finding the particle in the unit interval at the 2 2, m(L/2) 2 2 e =| Fam ein? ees 1y@ VL L pain ST ‘The probability P in the interval Ax is given by a 2 Palp@)P Ax =7Ar Inthis case L = 25 A = 25 x 10719 m and Ax=5 A=5 x 100m 2x5x1071? ~25x10710 Example 2. A proton or a neutron in a nucleus can roughly be regarded as a particle in a box, the suface of the nucleus plays the role of the wall of the box and proton moves more or less freely between these walls, What is the energy released when a proton makes a transition from the first excited state to the ground state of a box of nuclear size i.e. 1-0 x 10-4 m? Solution. We have r = 1 x 10-"* m. and m= my = 1-67 x 10-7 kg. ; The energy of ground state is determined from relation = 0-4. E, man 2m,yr 7 wn a2 x (105x107 Is) eg eas 1 2myr? — 2X167X10 2g x (1.0107 4m)? a =33x 103) ‘nergy of first excited state will be 2. By = 2 =4x33 x1 d 2mpyr" =13-2x 1035110 MODERN'S QUANTUM PHYSICS (B.Sc. II, PANJAB & Puy, My Ey - Ey = 13-2 x 10°38 J- 3:3 x 10-13 J 99x107'8 = 9. 13 y = ——— M 99x10 J = oy Me 2 MeV. Example 3. particle is confined to a one-dimensional infinite potential well of width 0.2 py | siven that where the energy of the particle is 230 eV, its eigenfunction has 5 antinodes. Find ty of the particle and show that it can never have energy equal to 1 keV. , | Solution. Since the cigen function corresponding to energy 230 eV has 5 antinodes, the par icky, a quantum state with n = 5. For this case, Es = 528, =25 By =230eV so that E, =92eV =92x 16x 1019) = 14-7 x 10-19 | Also, L=02 nm =02 x 10% m=2x 1010 m | noe | Now Tomi? ~ 8m? | 1 (6625x104)? kg | r = . 8B, 8x4x107? x14.7x10°9 = 93 x 1031 kg | For E,=1keV,n should be such that | E, _ 10° | 2 = = = 108- 8 = = gy 1087 Le. n=10-4 Since n is not an integer, E,, = 1 keV is not a permitted value of energy. Example. 4. Calculate the value of lowest energy of an electron moving in a one-demensional jor free region of length 4 A. (H.P.U. 195 Solution. We have m = 9-1 x 10! kg, L= 4x 107 m Since energy of electron in nth state is given by wien Pn? 2m? ~ 8m? For ground state 2 ne (6625x10-™) 1 smi? ~ 8x 91x10! xa x10- or E, =0376 x 10-8 5 Example. 5. Calculate the value of momentum and energy of an electron in a box of wavelengtt! forn = 2, [#P.U. 200068 Solution. We have L = = 1A = 10"! m, n=2 Since momentum, p, ="@4 = MH 4Pn = 2 = OL Forn = 2 _ 26625x 1074 nel Poe ax Keme Py = 6625 x 10% kg mstPLE SOLUTIONS OF SCHRODINGER EQUATION a p04? 21,2 \d energy, — +-— eo ; 2m? 8mL? For n= = 2806-62510 8X91 1073! x 19720 Ep = 1508 eV. Example. 6. A particle of mass 10° kg is moving with a speed of 104 m s~ in a box of length 103 A. Assuming this to be one dimensional square well problem, calculate the value of x. Solution. We have m= 10% kg, v = 104 ms-!, L = 103 A = 10-7 m Since energy of a particle in nth state is given by nn? 2m? 2mI?E, — 8mU7E,, n= a7 we 4m? Ly pe or w= QmLv _ 2x107° x10? x107* or ne h 6625 x 10 Example. 7. Evaluate the expectation value for kinetic energy of a particle in one dimensional rigid box in the nth quantum state. (H.P.U. 1998) Solution. We know that the wave function of a particle enclosed in one dimensional box is given by 2. (nax ve = ypsinl ‘The expectation value of kinetic energy E is given by = 3x 1016 a 2 2 - = f p*Eydr = Sei ve ay ye cin? pate 2m”, ax? : u112 25.242 man or =") mL wa? * “om mx? or =— 2mL Example 8. Consider a grain dust (m= 1m ) confined mo’ 10m. It requires 100 sec to cross the gap. Calculate the quan a MODERN'S QUANTUM PHYSICS (B.Sc. |l, PANJAB & PUN L f sin? a yen F( ~en 4) , L wen ~ mi? Solution. Velocity of dust particle (v) with m=1 ug we have Using m = 10~° kg: a = 104m. we have a n Example 9. For a free particle show that Schrodinger Aas. P Kinetic enrgy E = 10 kg and v E dx 0 (ve sign ig ong wwe between two rigid walls separa ium number that describes this ng 4 107" = 19-6 ms“! 100 mv? 2 10-6 ms, 1 x 1078 x ao-S? 2 = 5x 1027 ‘Also, the energy of a particle in a rigid box is given by E = wh 8mL> “'8mVEB he 5x 10 J, h = 6.62 x 104 3.s. 8x10~? x (1074)? x 5 x 107 “(6.62 x 10-4)? 8 9x 3x 10" Ans, ‘wave equation leads to the de Broglie rh Solution. The time-independent solution of Schrodinger wave equation may have the form, In this case, E, = wh 8ml? hw 8m?esis a ==. WEINER EQUATION Also .. From (1) and (2), or or pe ie, a= ? Ans. 113 a(1) wl) Example 10. Calculate the value of the difference between the energy of a hydrogen molecule having back and forth motion on a path of 1 cm long when n = 2 and n = 3 at 298 K. Solution. Mass of hydrogen molecule 2 * 6.02 x 10° We have the energy of a particle confined in a box given by the relation, 2p? wh = 0.33 x 10° kg 8ml? 4h? 0.33 x 106 kg 0.01 m, h = 6.626 x 104 J.s, 5 x (6.626 x 10734)? = 8 x 0.33 x 10776 (0.01)* = 83.1 x 10-87 83.1 x 1078 - 19 a 1.6 10 = 5.2x 10 ev An In the case,