In our angular momentum lectures on the Wigner-Eckart theorem we developed two equations. One for the general expectation value that depends also on the magnetic quantum numbers
⟨ΦJM|Tλμ|ΦJ′M′⟩≡(−1)J−M(JλJ′−MμM′)⟨ΦJ||Tλ||ΦJ′⟩,
and one for the reduced matrix elements in terms of
⟨ΦJ||Tλ||ΦJ′⟩≡∑M,μ,M′(−1)J−M(JλJ′−MμM′)⟨ΦJM|Tλμ|ΦJ′M′⟩.
Unless we have observables which depend on the magnetic quantum numbers, the degeneracy given by these quantum numbers is not seen experimentally. The typical situation when we perform shell-model calculations is that the results depend on the magnetic quantum numbers. The reason for this is that it is easy to implement the Pauli principle for many particles when we work in what we dubbed for m-scheme.
A resulting state in a shell-model calculations will thus depend on the total value of M defined as
M=A∑i=1mji.
A shell model many-body state is given by a linear combination of Slater determinants |Φi⟩. That is, for some conserved quantum numbers λ we have
|Psiλ⟩=∑iCi|Φi⟩,
where the coefficients are the overlaps between the many-body basis sets Ψ and Φ and are the resulting eigenvectors from the shell-model calculations.
In second quantization, our ansatz for a state like the ground state is
|Φ0⟩=(∏i≤Fˆa†i)|0⟩,
where the index i defines different single-particle states up to the Fermi level. We have assumed that we have N fermions.
A given one-particle-one-hole (1p1h) state can be written as
|Φai⟩=ˆa†aˆai|Φ0⟩,
while a 2p2h state can be written as
|Φabij⟩=ˆa†aˆa†bˆajˆai|Φ0⟩,
and a general NpNh state as
|Φabc…ijk…⟩=ˆa†aˆa†bˆa†c…ˆakˆajˆai|Φ0⟩.
A general shell-model many-body state
|Psiγ⟩=∑iCi|Φi⟩,
can be expanded as
|Ψγ⟩=C0|Φ0⟩+∑aiCai|Φai⟩+∑abijCabij|Φabij⟩+….
A one-body operator represented by a spherical tensor of rank λ is given as
Oλμ=∑pq⟨p|Oλμ|q⟩a†paq,
meaning that when we compute a transition amplitude
⟨Ψδ|Oλμ|Ψγ⟩=∑ijC∗δiCγj⟨Φi|Oλμ|Φj⟩,
we need to compute
⟨Φi|Oλμ|Φj⟩.
We want to rewrite
⟨Φi|Oλμ|Φj⟩,
in terms of the reduced matrix element only.
Let us introduce the relevant quantum numbers for the states Φi and Φj. We include only the relevant ones. We have then in m-scheme
⟨Φi|Oλμ|Φj⟩=∑pq⟨p|Oλμ|q⟩⟨ΦJM|a†paq|ΦJ′M′⟩.
With a shell-model m-scheme basis it is straightforward to compute these amplitudes.
However, as mentioned above, if we wish to related these elements to experiment, we need to use the Wigner-Eckart theorem and express the amplitudes in terms of reduced matrix elements.
We can rewrite the above transition amplitude using the Wigner-Eckart theorem. Our first step is to rewrite the one-body operator in terms of reduced matrix elements. Since the operator is a spherical tensor we need that the annihilation operator is rewritten as (where q represents jq, mq etc)
˜aq=(−1)jq−mqajq,mq.
The operator
Oλμ=∑pq⟨p|Oλμ|q⟩a†paq,
is rewritten using the Wigner-Eckart theorem as
Oλμ=∑pq⟨p||Oλ||q⟩(−1)jp−mp(jpλjq−mpμmq)a†paq.
We have
Oλμ=∑pq⟨p||Oλ||q⟩(−1)jp−mp(jpλjq−mpμmq)a†paq.
We then single out the sum over mp and mq only and define the recoupled one-body part of the operator as
λ−1[a†jp˜ajq]λμ=∑mp,mq(−1)jp−mp(jpλjq−mpμmq)a†paq,
with λ=√2λ+1.
This gives the following expression for the one-body operator
Oλμ=∑jpjq⟨p||Oλ||q⟩λ−1[a†jp˜ajq]λμ.
With
Oλμ=∑jpjq⟨p||Oλ||q⟩λ−1[a†jp˜ajq]λμ,
we can write
⟨ΦJM|Oλμ|ΦJ′M′⟩=∑pq⟨p|Oλμ|q⟩⟨ΦJM|a†paq|ΦJ′M′⟩,
as
⟨ΦJM|Oλμ|ΦJ′M′⟩=∑jpjq⟨p||Oλ||q⟩⟨ΦJM|λ−1[a†jp˜ajq]λμ|ΦJ′M′⟩.
We have suppressed the summation over quantum numbers like np,nq etc.
Using the Wigner-Eckart theorem
⟨ΦJM|Oλμ|ΦJ′M′⟩≡(−1)J−M(JλJ′−MμM′)⟨ΦJ||Oλ||ΦJ′⟩,
we can then define
⟨ΦJ||Oλ||ΦJ′⟩=λ−1∑jpjq⟨p||Oλ||q⟩⟨ΦJM||[a†jp˜ajq]λ||ΦJ′M′⟩.
The quantity to the left in the last equation is normally called the transition amplitude or in case of a decay process, simply the decay amplitude. The quantity
⟨ΦJM|λ−1[a†jp˜ajq]λμ|ΦJ′M′⟩ is called the one-body transition density while the corresponding reduced one is simply called the reduced one-body transition density.
The transition densities characterize the many-nucleon
properties of the initial and final states. They do not
carry information about the transition operator beyond its one-body character.
Finally, note that in a shell-model calculation it is actually ⟨ΦJM|Oλμ|ΦJ′M′⟩ which is calculated.
The reduced transition probability B is defined in terms of reduced matrix elements of a one-body operator by
B(i→f)=⟨Jf||O(λ)||Ji⟩2(2Ji+1).
With our definition of the reduced matrix element,
⟨Jf||O(λ)||Ji⟩2=⟨Ji||O(λ)||Jf⟩2,
the transition probability B depends upon the direction of the transition by the factor
of (2Ji+1). For electromagnetic
transitions Ji is that for the higher-energy initial state. But in
Coulomb excitation the initial state is usually
taken as the ground state, and it is normal to use the notation B(↑) for transitions from the ground state.
The one-body operators O(λ) represent a sum over the operators for the individual nucleon degrees of freedom i
O(λ)=∑iO(λ,i).
The electric transition operator is given by
O(Eλ)=rλYλμ(ˆr)eqe,
were Yλμ are the spherical harmonics
and q stands for proton q=p or neutron q=n.
Gamma transitions with λ=0 are forbidden because the photon must carry off at least one unit of angular momentum. The eq are the electric charges for the proton and neutron in units of e. For the free-nucleon charge we would take ep=1 and en=0, for the proton and neutron, respectively. Although the bare operator acts upon the protons, we will keep the general expression in terms of eq in order to incorporate the effective charges for the proton and neutron, which represent the center-of-mass corrections and the average effects of the renormalization from wavefunction admixtures outside the model space.
The magnetic transition operator is given by:
O(Mλ)=[l2glq(λ+1)+sgsq]∇[rλYλμ(ˆr)]μN
=√λ(2λ+1)[[Yλ−1(ˆr)⊗l]λμ2glq(λ+1)+[Yλ−1(ˆr)⊗s]λμgsq]rλ−1μN,
where μN is the nuclear magneton,
μN=eℏ2mpc=0.105efm,
and where mp is the mass of the proton.
The g-factors glq and gsq are the orbital and spin g-factors for the proton and neutron, respectively. The free-nucleon values for the g-factors are glp=1, gln=0, gsp=5.586 and gsn=−3.826. We may use effective values for these g-factors to take into account the truncation of the model space.
The most common types of transitions are E1, E2 and M1. The E1 transition operator is given by λ=1
O(E1)=rY(1)μ(ˆr)eqe=√34πreqe.
The E2 transition operator with λ=2
O(E2)=r2Y(2)μ(ˆr)eqe,
The M1 transition operator with λ=1 and with
Y0=1/√4π,
we have
O(M1)=√34π[lglq+sgsq]μN.
The selection rules are given by the triangle condition for the angular momenta, Δ(Ji,Jf,λ).
The electromagnetic interaction conserves parity, and the elements of the operators for Eλ and Mλ can be classified according to their transformation under parity change
ˆPˆOˆP−1=πOˆO,
where we have πO=(−1)λ for Yλ,
πO=−1 for the vectors
r, ∇ and p, and πO=+1 for the
pseudo vectors
l=r×p and σ. For a given matrix element we have:
⟨Ψf|O|Ψi⟩=⟨Ψf|P−1POP−1P|Ψi⟩=πiπfπO⟨Ψf|O|Ψi⟩.
The matrix element will vanish unless πiπfπO=+1.
The transitions are divided into two classes, those which do not change parity change πiπf=+1 which go by the operators with πO=+1:
πiπf=+1forM1,E2,M3,E4…,
and the ones which do change parity change πiπf=−1
which go by the operators with πO=−1:
πiπf=−1forE1,M2,E3,M4….
The electromagnetic moment operator can be expressed in terms of the electromagnetic transition operators. By the parity selection rule of the moments are nonzero only for M1, E2, M3, E4,…. The most common are:
μ=√4π3⟨J,M=J|O(M1)|J,M=J⟩=√4π3{J1J−J0J}⟨J||O(M1)||J⟩,
and
Q=√16π5⟨J,M=J|O(E2)|J,M=J⟩=√16π5(J2J−J0J)⟨J||O(E2)||J⟩.
Electromagnetic transitions and moments depend upon the reduced nuclear matrix elements ⟨f||O(λ)||i⟩. These can be expressed as a sum over one-body transition densities (OBTD) times single-particle matrix elements
⟨f||O(λ)||i⟩=∑kαkβOBTD(fikαkβλ)⟨kα||O(λ)||kβ⟩,
where the OBTD is given by
OBTD(fikαkβλ)=⟨f||[a+kα⊗˜akβ]λ||i⟩√(2λ+1).
The labels i and f are a short-hand notation for the initial
and final state quantum numbers (nωiJi) and (nωfJf),
respectively. Thus the problem is divided into two parts, one
involving the nuclear structure dependent one-body transition
densities OBTD, and the other involving the reduced
single-particle matrix
elements (SPME).
The SPME for the Eλ operator is given by
⟨ka||O(Eλ)||kb⟩=(−1)ja+1/2[1+(−1)la+λ+lb]2
×√(2ja+1)(2λ+1)(2jb+1)4π(jaλjb1/20−1/2)⟨ka|rλ|kb⟩eqe.
The SPME for the spin part of the magnetic operator is
⟨ka||O(Mλ,s)||kb⟩=
=√λ(2λ+1)<ja||[Yλ−1(ˆr)⊗s]λ||jb><ka|rλ−1|kb>gsqμN,
=√λ(2λ+1)√(2ja+1)(2jb+1)(2λ+1){la1/2jalb1/2jbλ−11λ}
×⟨la||Yλ−1(ˆr)||lb⟩⟨||s||s⟩⟨ka|rλ−1|kb⟩gsqμN,
where
⟨||s||s⟩=√3/2.
The SPME for the orbital part of the magnetic operator is:
⟨ka||O(Mλ,l)||kb⟩=
=√λ(2λ+1)λ+1⟨ja||[Yλ−1(ˆr)⊗l]λ||jb⟩⟨ka|rλ−1|kb⟩glqμN
=√λ(2λ+1)λ+1(−1)la+1/2+jb+λ√(2ja+1)(2jb+1)
×{lalbλjbja1/2}⟨la||[Yλ−1(ˆr)⊗l]λ||lb⟩⟨ka|rλ−1|kb⟩glqμN,
where we have defined
⟨la||[Yλ−1(ˆr)⊗l]λ||lb⟩=(−1)λ+la+lb√(2λ+1)lb(lb+1)(2lb+1)
×{λ−11λlblalb}⟨la||Yλ−1(ˆr)||lb⟩,
with
⟨la||Yλ−1(ˆr)||lb⟩=(−1)la√(2la+1)(2lb+1)(2λ−1)4π(laλ−1lb000).
For the M1 operator the radial matrix element is
<ka|r0|kb>=δna,nb,
and the SPME simplify to:
⟨ka||O(M1,s)||kb⟩=√34π⟨ja||s||jb⟩δna,nbgsqμN
=√34π(−1)la+ja+3/2√(2ja+1)(2jb+1){1/21/21jbjala}
×⟨s||s||s⟩δla,lbδna,nbgsqμN,
where we have
<s||s||s>=√3/2,
and
<ka||O(M1,l)||kb>=√34π<ja||l||jb>δna,nbglqμN
=√34π(−1)la+jb+3/2√(2ja+1)(2jb+1){lalb1jbja1/2}
×⟨la||l||lb⟩δna,nbglqμN,
where
⟨la||l||lb⟩=δla,lb√la(la+1)(2la+1).
Thus the M1 operator connects only
those orbitals which have the same n and l values.
We will now focus on allowed β-decay. Suhonen's chapter 7 and Alex Brown's chapter 29 cover much of the material to be discussed on β-decay.
The allowed beta decay rate W between a specific set of initial and final states is given by
Wi,f=(f/Ko)[g2VBi,f(F±)+g2ABi,f(GT±)],
where f is dimensionless three-body
phase-space factor which depends upon the
beta-decay Q value,
and Ko is a specific combination of fundamental constants
Ko=2π3ℏ7m5ec4=1.8844×10−94erg2cm6s.
The ± signrefer to β± decay of nucleus
(Ai,Zi) into nucleus (Ai,Zi∓1).
The weak-interaction vector (V) and axial-vector (A) coupling
constants for the decay of neutron into a proton are denoted by gV
and gA, respectively.
The total decay rate for a given initial state is obtained by summing the partial rates over all final states
W=∑fWif,
with the branching fraction to a specific final state given by
bif=WifW.
Beta decay lifetime are usually given in terms of the half-life with
a total half-life of
T1/2=ln(2)W.
The partial half-life for a particular final state will be
denoted by t1/2
t1/2=T1/2bif.
Historically one combines the partial half-life for a particular decay with the calculated phase-space factor f to obtain an ft value given by
ft1/2=C[B(F±)+(gA/gV)2B(GT±)]
where
C=ln(2)Ko(gV)2.
One often compiles the allowed beta decay in terms of a logft which stands for log$_{10}$ of the ft1/2 value.
The values of the coupling constants for Fermi decay, gV, and Gamow-Teller decay, gA are obtained as follows. For a 0+→0+ nuclear transition B(GT)=0, and for a transition between T=1 analogue states with B(F)=2 we find
C=2t1/2f.
The partial half-lives and Q values for several 0+→0+ analogue
transitions have been measured to an accuracy of about one part in
10000. With phase space factors one obtains
C=6170(4)
This result, together with the value of Ko can be used to obtain gV.
At the quark level gV=−gA. But for nuclear structure we use the value obtained from the neutron to proton beta decay
|gA/gV|=1.261(8).
The operator for Fermi beta decay in terms of sums over the nucleons is
O(F±)=∑ktk±.
The matrix element is
B(F)=|⟨f|T±|i⟩|2,
where
T±=∑kt±
is the total isospin raising and lowering operator for total
isospin constructed out of the
basic nucleon isospin raising and lowering operators
t−|n⟩=|p⟩t−|p⟩=0,
and
t+|p⟩=|n⟩,t+|n⟩=0.
The matrix elements obey the triangle conditions Jf=Ji (ΔJ=0). The Fermi operator has πO=+1, and thus the initial and final nuclear states must have πiπf=+1 for the matrix element to be nonzero under the parity transform.
When isospin is conserved the Fermi matrix element must obey the isospin triangle condition Tf=Ti $(\Delta T=0)$, and the Fermi operator can only connect isobaric analogue states.
For β− decay
T−|ωi,Ji,Mi,Ti,Tzi⟩
=√(Ti(Ti+1)−Tzi(Tzi−1)|ωi,Ji,Mi,Ti,Tzi−1⟩,
and
B(F−)=|⟨ωf,Jf,Mf,Tf,Tzi−1|T−|ωi,Ji,Mi,Ti,Tzi⟩|2
=[Ti(Ti+1)−Tzi(Tzi−1)]δωf,ωδJi,JfδMi,MfδTi,Tf.
For β+ we have
B(F+)=|⟨ωf,Jf,Mf,Tf,Tzi+1|T+|ωi,Ji,Mi,Ti,Tzi⟩|2
=[Ti(Ti+1)−Tzi(Tzi+1)]δωf,ωδJi,JfδMi,MfδTi,Tf.
For neutron-rich nuclei (Ni>Zi) we have Ti=Tzi and thus
B(F−)(Ni>Zi)=2Tzi=(Ni−Zi)δωf,ωδJi,JfδMi,MfδTi,Tf,
and
B(F+)(Ni>Zi)=0.
The reduced single-particle matrix elements are given by
⟨ka,p||σt−||kb,n⟩=⟨ka,n||σt+||kb,p⟩=2⟨ka||s||kb⟩,
where the matrix elements of s are given by
⟨ka||s||kb⟩=⟨ja||s||jb⟩δna,nb
=(−1)la+ja+3/2√(2ja+1)(2jb+1){1/21/21jbjala}⟨s||s||s⟩δℓa,ℓbδna,nb,
with
⟨s||s||s⟩=√3/2.
The matrix elements of s has the selection rules δℓa,ℓb and δna,nb. Thus the orbits which are connected by the GT operator are very selective; they are those in the same major oscillator shell with the same ℓ value. The matrix elements such as 1s1/2−0d3/2 which have the allowed Δj coupling but are zero due to the Δℓ coupling are called ℓ-forbidden matrix elements.
Sum rules for Fermi and Gamow-Teller matrix elements can be obtained easily.
The sum rule for Fermi is obtained from the sum
∑f[Bfi(F−)−Bfi(F+)]=∑f[|⟨f|T−|i⟩|2−|⟨f|T+|i⟩|2]
The final states f in the T− matrix element go
with the Zf=Zi+1 nucleus and those in the T+ matrix element
to with the Zf=Zi−1 nucleus. One can explicitly sum over the
final states to obtain
∑f[⟨i|T+|f⟩⟨f|T−|i⟩−⟨i|T−|f⟩⟨f|T+|i⟩]
=⟨i|T+T−−T−T+|i⟩=⟨i|2Tz|i⟩=(Ni−Zi).
The sum rule for Gamow-Teller is obtained as follows
∑f,μ|⟨f|∑kσk,μtk−|i⟩|2−∑f,μ|⟨f|∑kσk,μtk+|i⟩|2
=∑f,μ⟨i|∑kσk,μtk+|f⟩⟨f|∑k′σk′,μtk′−|i⟩
−∑f,μ⟨i|∑kσk,μtk−|f⟩⟨f|∑k′σk′,μtk′+|i⟩
=∑μ[⟨i|(∑kσk,μtk+)(∑k′σk′,μtk′−)−(∑kσk,μtk−)(∑k′σk′,μtk′+)|i⟩]
=∑μ⟨i|∑kσ2k,μ[tk+tk−−tk−tk+]|i⟩=3⟨i|∑k[tk+tk−−tk−tk+]|i⟩
=3⟨i|T+T−−T−T+|i⟩=3⟨i|2Tz|i⟩=3(Ni−Zi).
We have used the fact that σ2x=σ2y=σ2z=1. When k≠k′ the operators commute and cancel. Thus
∑f[Bfi(F−)−Bfi(F+)]=(Ni−Zi),
and
∑f[Bfi(GT−)−Bfi(GT+)]=3(Ni−Zi).
The sum-rule for the Fermi matrix elements applies even when isospin is not conserved.
For N>Z we usually have Ti=Tzi which means that B(F+)=0.
For N=Z(Tzi=0) and Ti=0 we get B(F+)=B(F−)=0, and for Ti=1 we have B(F+)=B(F−)=2. Fermi transitions which would be zero if isospin is conserved are called isospin-forbidden Fermi transitions.
When N>Z there are some situations where one has B(GT+)=0, and then we obtain B(GT−)=3(Ni−Zi). In particular for the β− decay of the neutron we have B(F−)=1 and B(GT−)=3.
We need to say something about so-called core-polarization effects. To do this, we have to introduce elements from many-body perturbation theory.
We assume here that we are only interested in the ground state of the system and expand the exact wave function in term of a series of Slater determinants
|Ψ0⟩=|Φ0⟩+∞∑m=1Cm|Φm⟩,
where we have assumed that the true ground state is dominated by the
solution of the unperturbed problem, that is
ˆH0|Φ0⟩=W0|Φ0⟩.
The state |Ψ0⟩ is not normalized, rather we have used an intermediate
normalization ⟨Φ0|Ψ0⟩=1 since we have ⟨Φ0|Φ0⟩=1.
The Schroedinger equation is
ˆH|Ψ0⟩=E|Ψ0⟩,
and multiplying the latter from the left with ⟨Φ0| gives
⟨Φ0|ˆH|Ψ0⟩=E⟨Φ0|Ψ0⟩=E,
and subtracting from this equation
⟨Ψ0|ˆH0|Φ0⟩=W0⟨Ψ0|Φ0⟩=W0,
and using the fact that the both operators ˆH and ˆH0 are hermitian
results in
ΔE=E−W0=⟨Φ0|ˆHI|Ψ0⟩,
which is an exact result. We call this quantity the correlation energy.
This equation forms the starting point for all perturbative derivations. However, as it stands it represents nothing but a mere formal rewriting of Schroedinger's equation and is not of much practical use. The exact wave function |Ψ0⟩ is unknown. In order to obtain a perturbative expansion, we need to expand the exact wave function in terms of the interaction ˆHI.
Here we have assumed that our model space defined by the operator ˆP is one-dimensional, meaning that
ˆP=|Φ0⟩⟨Φ0|,
and
ˆQ=∞∑m=1|Φm⟩⟨Φm|.
We can thus rewrite the exact wave function as
|Ψ0⟩=(ˆP+ˆQ)|Ψ0⟩=|Φ0⟩+ˆQ|Ψ0⟩.
Going back to the Schr\"odinger equation, we can rewrite it as, adding and a subtracting a term ω|Ψ0⟩ as
(ω−ˆH0)|Ψ0⟩=(ω−E+ˆHI)|Ψ0⟩,
where ω is an energy variable to be specified later.
We assume also that the resolvent of (ω−ˆH0) exits, that is it has an inverse which defined the unperturbed Green's function as
(ω−ˆH0)−1=1(ω−ˆH0).
We can rewrite Schroedinger's equation as
|Ψ0⟩=1ω−ˆH0(ω−E+ˆHI)|Ψ0⟩,
and multiplying from the left with ˆQ results in
ˆQ|Ψ0⟩=ˆQω−ˆH0(ω−E+ˆHI)|Ψ0⟩,
which is possible since we have defined the operator ˆQ in terms of the eigenfunctions of ˆH.
These operators commute meaning that
ˆQ1(ω−ˆH0)ˆQ=ˆQ1(ω−ˆH0)=ˆQ(ω−ˆH0).
With these definitions we can in turn define the wave function as
|Ψ0⟩=|Φ0⟩+ˆQω−ˆH0(ω−E+ˆHI)|Ψ0⟩.
This equation is again nothing but a formal rewrite of Schr\"odinger's equation
and does not represent a practical calculational scheme.
It is a non-linear equation in two unknown quantities, the energy E and the exact
wave function |Ψ0⟩. We can however start with a guess for |Ψ0⟩ on the right hand side of the last equation.
The most common choice is to start with the function which is expected to exhibit the largest overlap with the wave function we are searching after, namely |Φ0⟩. This can again be inserted in the solution for |Ψ0⟩ in an iterative fashion and if we continue along these lines we end up with
|Ψ0⟩=∞∑i=0{ˆQω−ˆH0(ω−E+ˆHI)}i|Φ0⟩,
for the wave function and
ΔE=∞∑i=0⟨Φ0|ˆHI{ˆQω−ˆH0(ω−E+ˆHI)}i|Φ0⟩,
which is now a perturbative expansion of the exact energy in terms of the interaction
ˆHI and the unperturbed wave function |Ψ0⟩.
In our equations for |Ψ0⟩ and ΔE in terms of the unperturbed solutions |Φi⟩ we have still an undetermined parameter ω and a dependecy on the exact energy E. Not much has been gained thus from a practical computational point of view.
In Brilluoin-Wigner perturbation theory it is customary to set ω=E. This results in the following perturbative expansion for the energy ΔE
ΔE=∞∑i=0⟨Φ0|ˆHI{ˆQω−ˆH0(ω−E+ˆHI)}i|Φ0⟩=
⟨Φ0|(ˆHI+ˆHIˆQE−ˆH0ˆHI+ˆHIˆQE−ˆH0ˆHIˆQE−ˆH0ˆHI+…)|Φ0⟩.
ΔE=∞∑i=0⟨Φ0|ˆHI{ˆQω−ˆH0(ω−E+ˆHI)}i|Φ0⟩=
⟨Φ0|(ˆHI+ˆHIˆQE−ˆH0ˆHI+ˆHIˆQE−ˆH0ˆHIˆQE−ˆH0ˆHI+…)|Φ0⟩.
This expression depends however on the exact energy E and is again not very convenient from a practical point of view. It can obviously be solved iteratively, by starting with a guess for E and then solve till some kind of self-consistency criterion has been reached.
Actually, the above expression is nothing but a rewrite again of the full Schr\"odinger equation.
ˆQ1ˆe−ˆQˆHIˆQ=
ˆQ[1ˆe+1ˆeˆQˆHIˆQ1ˆe+1ˆeˆQˆHIˆQ1ˆeˆQˆHIˆQ1ˆe+…]ˆQ.
Inserted in the expression for ΔE leads to
ΔE=⟨Φ0|ˆHI+ˆHIˆQ1E−ˆH0−ˆQˆHIˆQˆQˆHI|Φ0⟩.
In RS perturbation theory we set ω=W0 and obtain the following expression for the energy difference
ΔE=∞∑i=0⟨Φ0|ˆHI{ˆQW0−ˆH0(ˆHI−ΔE)}i|Φ0⟩=
⟨Φ0|(ˆHI+ˆHIˆQW0−ˆH0(ˆHI−ΔE)+ˆHIˆQW0−ˆH0(ˆHI−ΔE)ˆQW0−ˆH0(ˆHI−ΔE)+…)|Φ0⟩.
Recalling that ˆQ commutes with ^H0 and since ΔE is a constant we obtain that
ˆQΔE|Φ0⟩=ˆQΔE|ˆQΦ0⟩=0.
Inserting this results in the expression for the energy results in
ΔE=⟨Φ0|(ˆHI+ˆHIˆQW0−ˆH0ˆHI+ˆHIˆQW0−ˆH0(ˆHI−ΔE)ˆQW0−ˆH0ˆHI+…)|Φ0⟩.
We can now this expression in terms of a perturbative expression in terms of ˆHI where we iterate the last expression in terms of ΔE
ΔE=∞∑i=1ΔE(i).
We get the following expression for ΔE(i)
ΔE(1)=⟨Φ0|ˆHI|Φ0⟩,
which is just the contribution to first order in perturbation theory,
ΔE(2)=⟨Φ0|ˆHIˆQW0−ˆH0ˆHI|Φ0⟩,
which is the contribution to second order.
ΔE(3)=⟨Φ0|ˆHIˆQW0−ˆH0ˆHIˆQW0−ˆH0ˆHIΦ0⟩−⟨Φ0|ˆHIˆQW0−ˆH0⟨Φ0|ˆHI|Φ0⟩ˆQW0−ˆH0ˆHI|Φ0⟩,
being the third-order contribution.
I hope this is not the case
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