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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?

Short Answer

Expert verified

(a)E=12Ea+EbEa-Eb2+4h2

(b)E-Ea-h2Eb-Ea;E+Eb+h2Eb-Ea

(c)Hmin=-12Ea+EbEb-Ea2+4h2

(d) Using Taylor series (small h) to expand results in (a) we obtained results from

Step by step solution

01

(a) Finding the exact Eigen value

In order to find Eigen values of H, calculate:

detH-.l=0Ea-Eb--h2=02-Ea+Eb+EaEb-h2=0

=12Ea+EbEa2+2EaEb+Eb2-4EaEb+4h2E=12Ea+EbEa-Eb2+4h2

02

Step 2:(b) Estimating the energies

Zero order: Ea0=Ea,Eb0=Eb

First order: Ea1=a|H'|a=0,Eb1=b|H'|b=0

Second order:

Ea2=b|H'|a2Ea-Eb=-h2Eb-Ea;Eb2=a|H'|b2Eb-Ea=h2Eb-EaE-Ea-h2Eb-Ea;E+Eb+h2Eb-Ea

03

 Step 3:(c) Estimating the ground state energy

Here estimating the ground state energy.

H=肠辞蝉蠒蠄a+蝉颈苍蠒蠄bH0+H'肠辞蝉蠒蠄a+蝉颈苍蠒蠄b=cos2a|H0|a+sin2b|H0|b+蝉颈苍蠒肠辞蝉蠒b|H'|a+蝉颈苍蠒肠辞蝉蠒a|H'|b=Eacos2+Ebsin2+2hsin肠辞蝉蠒

So,

H=-Ea2cossin+Eb2sincos+2hcos2-sin2=Eb-Easin2+2hcos2=0tan2=-2hEb-Ea=-owhereo2hEb-Ea.sin21-sin22=-o;sin22=o21-sin22orsin221+o2=o2;sin2=o1+o2;cos22=1-sin22

=1-o21+o2=11+o2;cos2=+11+o2signdictatedbytan2=sin2cos2=-o.cos2=121+cos2=121+11+o2;sin2=121-cos2=12111+o2

Hmin=12Ea1+11+o2+12Eb111+o2ho1+o2=12Ea+EbEb+Ea+2ho1+o2

But

Eb-Ea+2ho1+o2=Eb-Ea+2h2hEb-Ea1+4h2Eb-Ea2=Eb-Ea2+4h2Eb-Ea2+4h2=Eb-Ea2+4h2SoHmin=12Ea+EbEb-Ea2+4h2

04

 Step 4:(d) Comparing (a),(b) and (c)

We can obtain results from task (b) if we expand in Taylor series exact energies from task (a). we use limit where h is very small, which has to be if we want to use perturbation theory:

E=12[Ea+EbEb+Ea1+4h2Eb+EaE12Ea+EbEb+Ea1+2h2Eb+Ea2=12Ea+EbEb+Ea2h2Eb+Ea

so localid="1658396154675" E+Eb+h2Eb+Ea,E-Ea-h2Eb+Ea,

Confirming the perturbation theory results in (b). The variation principle (c) gets the ground state(E鈭) exactly right-not too surprising since the trial wave function Eq. 7.75 is almost the most general state (there could be a relative phase factor ei .

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Most popular questions from this chapter

a) Use the variational principle to prove that first-order non-degenerate perturbation theory always overestimates (or at any rate never underestimates) the ground state energy.

(b) In view of (a), you would expect that the second-order correction to the ground state is always negative. Confirm that this is indeed the case, by examining Equation 6.15.

(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.

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.

InProblem 7.7we found that the trial wave function with shielding (Equation 7.27), which worked well for helium, is inadequate to confirm the existence of a bound state for the negative hydrogen ion.

1(r1,r2)z3a3e-z(r1+r2)/a (7.27)

Chandrasekhar used a trial wave function of the form

(r1,r2)A[1(r1)2(r2)+2(r1)1(r2)] (7.62).

Where

1(r)z13蟺补3e-z1/a,1(r)z23a3e-z2/a,(7.63)

In effect, he allowed two different shielding factors, suggesting that one electron is relatively close to the nucleus, and the other is farther out. (Because electrons are identical particles, the spatial wave function must be symmetries with respect to interchange. The spin state鈥攚hich is irrelevant to the calculation鈥攊s evidently anti symmetric.) Show that by astute choice of the adjustable parameters Z1and Z2you can get<H>less than -13.6.

Answer: :<H>=E1x6+y6(-x8+2x7+12x6y2-12x5y2-18x3y4+118xy6-12y8).

Wherexz1+z2.y2z1z2Chandrasekhar usedZ1=1.039

(Since this is larger than 1, the motivating interpretation as an effective nuclear charge cannot be sustained, but never mindit鈥檚 still an acceptable trial wave function) andZ2=0.283.

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 .

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