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(a) Use a trial wave function of the form

(x)={Acos(x/a),if(a/2<x<a/2)0otherwise

to obtain a bound on the ground state energy of the one-dimensional harmonic oscillator. What is the "best" value ofa? CompareHminwith the exact energy. Note: This trial function has a "kink" in it (a discontinuous derivative) ata/2; do you need to take account of this, as I did in Example 7.3?

(b) Use(x)=Bsin(x/a)on the interval(a,a)to obtain a bound on the first excited state. Compare the exact answer.

Short Answer

Expert verified

(a) The exact energy is 12andHmin>Eg .

(b) The first actual excited state energy is 32Hmin>32.

Step by step solution

01

Step 1:Definition ofthe Hamiltonian function

The Hamiltonian function is a mathematical formulation for describing the rate of change in the state of a dynamic physical system, such as a group of moving particles, The Hamiltonian of a system reveals all of its potential for generating energy.

02

(a) Determination of the expectation value of the potential energy

Write the normalization condition.

|(x)|2dx=1|A|2a/2/2cos2(x/a)dx=1|A|2a/2a/2[1+cos2(x2)2]dx=1|A|2[0a/2dx+0a/2cos(2xa)dx]=1|A|2[x+sin(2xa)(2a)]0a/2

Evaluate the above expression further.

|(x)|2dx=1|A|2[a2+0]=1A=2a

It is known thatH=T+Vand for a harmonic oscillator,T=22md2dx2andV=12m2x2.

Determine the expectation value of.T

T=*(x)(22md2dx2)(x)dx=22m|A|2cos(xa)ddx(sin(xa))(a)dx=22m|A|2(2a2)a/2a/2cos2(xa)dx=(22m)(2a2)/2/2||2dx=(22m)(2a2)(1)=(22m)(2a2)

Determine the expectation value of V.

V=12m2A2a2a2x2cos2xadx=a2a2x2cos2xadx=a2a2x22(1+cos2xa)dx=a2a2x22dx+12a2a2x2cos2xadx=I1+I2

Simplify the above expression further.

I1=x36|a2a2=a386(a386)=a348+a348=a324

I2=12a2a2x2cos2xadx

Integrate the function by parts,

Assume u=x2,dv=cos2xadx and du=2xdx.

v=sin2xa2a=asin2xa2

I2=ax2sin2xa2|a2a2aa2a2xsin2xadx=ax2sin2xa2|a2a2aa2a2xsin2xadx

Further simplify,

Assume u=x,dv=sin2xadx,du=dx

v=a2cos2xa

Simplify the expression.

I2=ax2sin2xa2a(a2xcos2xaa2a2a2cos2xadx)=ax22sin(2xa)|a2a2+a222xcos2xa|a2a2a222a2sin2xa=a222xcos(2xa)|a2a2=a222(a2)(1)a222(a2)(1)

Further evaluate the expression.

I2=a342a342=12(a322)=a342

Write the value of l.

I=12m2(2a)(a324a342)

Determine the expectation value of the Hamiltonian by substituting the values in.

H=T+V

Take the derivative of above expression with respect to a.

dHda=22ma3+m2aa2(261)

Equate the above expression to 0.

dHda=022ma3+m2aa2(261)=0=m2a22(261)=22ma3

Solve to get the value of a.

a=m(2(261))14a4=a222m2(261)m=242m22(261)a=m(2(261))14

Substitute the above value in the expression forH.

T=(22m)(2a2)(1)=(22m)(2a2)=22612+w42261=12232=12(1.136)=12

Thus, the exact energyis 12and .Hmin>Eg

03

(b) Determination of a bound on the first excited state

Write the expression for the wave function.

(x)=Bsin(x/a)

Determine the normalization condition.

|(x)|2dx=1|B|2aasin2(xa)=1|B|2aa1cos(2xa)2=1|B|22a(1cos2xa)dx=1

Evaluate the above expression further.

|B|22[(x)aa(sin2xa)|a(2a)|a]=1|B|2a=1B=1a

Determine the bound to the energy of the first excited state since the given state is orthogonal to the ground state.

It is known thatH=T+V.

Determine the value ofT.

T=(22m)(x)d2dx2(x)dx=(22m)|B|2sin(xa)[(a)2sin(xa)]dx=(22m)((a)2)|B|2aasin2(xa)dx=(22m)(2a2)(1a)(a)=222ma2

Determine the value ofV.

V=(x)(12m2x2)(x)dx=|B|2(12)m2ax2sin2(xa)dx

Applyand,y=xasodx=(a)dythe limits are as follows,

,x=a,y=

x=ay=

Substitute the above values.

V=m22a(a)3y2sin2ydy=m2a22()3y2(1cos2y2)dy=m2a223[y2y2cos2ydy]=m2a223[y33]y2sin2y2|*(2y)(sin2y2)dy

Evaluate the above expression further.

V=m2a223[y36(y2418)sin2yycos2y4]=m2a242[223[16(23)14(cos2+cos2)]=m2a223[332]

Consequently, the minimum Hamiltonian is as follows,

Hmin=222m((23/3)12)1/2m2+m242(2231)2(m)(2(223)1)1/2=((23/3)12)1/2(2)+(2231)4(2(22/3)1)1/2=((22/3)12)1/2(2)[1+(2231)122(2231)]=2[(22/3)12]1/2(2)=32[((22/3)12)1/2(23)]=(32)(1.857)=(32)

Thus, the first actual excited state energy is 32Hmin>32.

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Most popular questions from this chapter

Suppose you鈥檙e given a two-level quantum system whose (time-independent) Hamiltonian H0admits just two Eigen states, a (with energy Ea ), and b(with energy Eb ). They are orthogonal, normalized, and non-degenerate (assume Ea is the smaller of the two energies). Now we turn on a perturbation H鈥, with the following matrix elements:

a|H'|a=b|H'|b=0;a|H'|b=b|H'|a (7.74).

where h is some specified constant.

(a) Find the exact Eigen values of the perturbed Hamiltonian.

(b) Estimate the energies of the perturbed system using second-order perturbation theory.

(c) Estimate the ground state energy of the perturbed system using the variation principle, with a trial function of the form

=(肠辞蝉蠒)a+(蝉颈苍蠒)b (7.75).

where 蠒 is an adjustable parameter. Note: Writing the linear combination in this way is just a neat way to guarantee that 蠄 is normalized.

(d) Compare your answers to (a), (b), and (c). Why is the variational principle so accurate, in this case?

If the photon had a nonzero mass m0, the Coulomb potential would be replaced by the Yukawa potential,

V(r)=-e240e-rr (8.73).

Where=mc/ . With a trial wave function of your own devising, estimate the binding energy of a 鈥渉ydrogen鈥 atom with this potential. Assumea1 , and give your answer correct to order(a)2 .

(a) Prove the following corollary to the variational principle: If gs=0then谩贬帽Efe whereEfe is the energy of the first excited state. Comment: If we can find a trial function that is orthogonal to the exact ground state, we can get an upper bound on the first excited state. In general, it's difficult to be sure that is orthogonal togsi since (presumably) we don't know the latter. However, if the potentialV(x) is an even function of x, then the ground state is likewise even, and hence any odd trial function will automatically meet the condition for the corollary.

(b) Find the best bound on the first excited state of the one-dimensional harmonic oscillator using the trial function(x)=Axe-bx2

Although the Schr枚dinger equation for helium itself cannot be solved exactly, there exist 鈥渉elium-like鈥 systems that do admit exact solutions. A simple example is 鈥渞ubber-band helium,鈥 in which the Coulomb forces are replaced by Hooke鈥檚 law forces:

H=-22m(12+22)+12m2|r1-r1|2(8.78).

(a) Show that the change of variables from

r1,r2,tor1,r2,tou12(r1+r2),v12(r1+r2) (8.79).

turns the Hamiltonian into two independent three-dimensional harmonic oscillators:

H=[-2mu2+12m2u2]+[-2mu2+121-m2u2](8.80)

(b) What is the exact ground state energy for this system?

(c) If we didn鈥檛 know the exact solution, we might be inclined to apply the method of Section 7.2 to the Hamiltonian in its original form (Equation 7.78). Do so (but don鈥檛 bother with shielding). How does your result compare with the exact answer? Answer:(H)=3(1-/4)a.

(a) GeneralizeProblem 7.2, using the trial wave function

(x)=A(x2+b2)n,

For arbitrary n. Partial answer: The best value of b is given by

localid="1658300238725" b2=hm[n(4n-1)(4n-3)2(2n+1)]1/2

(b) Find the least upper bound on the first excited state of the harmonic oscillator using a trial function of the form

(x)=Bx(x2+b2)n.

Partial answer: The best value of b is given by

localid="1658300555415" b2=hm[n(4n-5)(4n-3)2(2n+1)]1/2.

(c) Notice that the bounds approach the exact energies as n 鈫掆垶. Why is that? Hint: Plot the trial wave functions for n = 2 , n = 3 , and n = 4, and compare them with the true wave functions (Equations 2.59 and 2.62). To do it analytically, start with the identity

ez=limn(1+zn)n0(x)=(mh)1/4e-m2hx2 (2.59).

1(x)=A1a^+0=A12hm(-hddx+mx)(mh)1/4e-m2hx21(x)=A1(mh)1/42mhxe-m2hx2(2.62).

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