How do constraints affect the Hamiltonian in mean-field approximation?

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The discussion centers on the implementation of constraints in the Hamiltonian for a tight-binding model within the mean-field approximation. The original Hamiltonian is modified by introducing a Lagrange multiplier, which acts as a chemical potential, to enforce the constraint of one electron per site on average, represented as <c>i<ci> = 1. The participants debate the effectiveness of this constraint, particularly how it interacts with the Hamiltonian and the implications of squaring the constraint. The conversation highlights the necessity of treating the chemical potential as a variable rather than a constant, emphasizing its role in enforcing the constraint during variational calculations.

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CKtalon
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Please correct me if I make any mistakes along the way.

Suppose we have a simple tight-binding Hamiltonian
H=\sum_i \epsilon _i c_i^\dagger c_i - t\sum_{\langle i j\rangle} c_i^\dagger c_j + h.c.,
In half-filling systems, we tend to impose a constraint such that each site has only one electron on average, i.e.,
\langle c^\dagger_i c_i\rangle = 1

Suppose I were to ensure that this constraint is in the Hamiltonian, I add a Lagrange multiplier (which ends up to be a chemical potential?)
H=\sum_i \epsilon _i c_i^\dagger c_i - t\sum_{\langle i j\rangle} c_i^\dagger c_j + h.c. - \mu_i (c^\dagger_i c_i-1),

Now my confusion comes in, how does the constraint work here, since the 1 is a constant, and can be effectively ignored to obtain a Hamiltonian like
H=\sum_i (\epsilon_i - \mu_i) c_i^\dagger c_i - t\sum_{\langle i j\rangle} c_i^\dagger c_j + h.c.,
so how can I ensure that my constraint is really doing anything in mean-field (MF) since I could have the constraint be any other number?

I'm working only in the mean-field approximation.
I received a suggestion to square the constraint, and hence end up with a quartic term, that can be solved perturbatively. However, it seems at zeroth (first?) order in mean-field, the entire term disappears

(c^\dagger_i c_i-1)^2 = c_i^\dagger c_i c_i^\dagger c_i -2 c_i^\dagger c_i +1

Under MF, with the equation AB \approx \langle A\rangle B + A\langle B\rangle - \langle A\rangle \langle B \rangle,

2\langle c_i^\dagger c_i \rangle c_i^\dagger c_i - \langle c_i^\dagger c_i \rangle \langle c_i^\dagger c_i \rangle -2 c_i^\dagger c_i +1 = 2 c_i^\dagger c_i - 1\cdot 1 - 2c_i^\dagger c_i +1=0

I hope someone can relieve some of my confusion.
Specifically, I am working with slave fermions and want to impose \langle f_i^\dagger f_i \rangle=2 for a spin, S=1 system, and with itinerant electrons with \langle c_i^\dagger c_i \rangle=1
 
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CKtalon said:
Please correct me if I make any mistakes along the way.

Suppose we have a simple tight-binding Hamiltonian
H=\sum_i \epsilon _i c_i^\dagger c_i - t\sum_{\langle i j\rangle} c_i^\dagger c_j + h.c.,
In half-filling systems, we tend to impose a constraint such that each site has only one electron on average, i.e.,
\langle c^\dagger_i c_i\rangle = 1

Suppose I were to ensure that this constraint is in the Hamiltonian, I add a Lagrange multiplier (which ends up to be a chemical potential?)
H=\sum_i \epsilon _i c_i^\dagger c_i - t\sum_{\langle i j\rangle} c_i^\dagger c_j + h.c. + \mu_i (c^\dagger_i c_i-1),

Now my confusion comes in, how does the constraint work here, since the 1 is a constant, and can be effectively ignored to obtain a Hamiltonian like
H=\sum_i (\epsilon_i - \mu_i) c_i^\dagger c_i - t\sum_{\langle i j\rangle} c_i^\dagger c_j + h.c.,
so how can I ensure that my constraint is really doing anything in mean-field (MF) since I could have the constraint be any other number?

But it's not just 1, it's \mu_i. You've introduced a new set of variables into your Hamiltonian to enforce your constraint. You can't treat them as constants. Varying the Hamiltonian with respect to a \mu_i should enforce the constraint.

I'm working only in the mean-field approximation.
I received a suggestion to square the constraint, and hence end up with a quartic term, that can be solved perturbatively. However, it seems at zeroth (first?) order in mean-field, the entire term disappears

(c^\dagger_i c_i-1)^2 = c_i^\dagger c_i c_i^\dagger c_i -2 c_i^\dagger c_i +1

Under MF, with the equation AB \approx \langle A\rangle B + A\langle B\rangle - \langle A\rangle \langle B \rangle,

2\langle c_i^\dagger c_i \rangle c_i^\dagger c_i - \langle c_i^\dagger c_i \rangle \langle c_i^\dagger c_i \rangle -2 c_i^\dagger c_i +1 = 2 c_i^\dagger c_i - 1\cdot 1 - 2c_i^\dagger c_i +1=0

I hope someone can relieve some of my confusion.
Specifically, I am working with slave fermions and want to impose \langle f_i^\dagger f_i \rangle=2 for a spin, S=1 system, and with itinerant electrons with \langle c_i^\dagger c_i \rangle=1

I don't see how squaring the constraint would have helped your original problem - you'll still produce a constant term that you would have neglected along your original line of reasoning. But, since I don't think it's appropriate to disregard the \mu_i terms, you should be fine with the linear constraint.
 
Thanks for the reply. So the next usual step is to go to Fourier space, so my Hamiltonian and chemical potential becomes something like
H = \sum_k [-2t\cos ka + (\epsilon_k - \mu_k)]c_k^\dagger c_k + \alpha\mu_{k=0},
where we had the constraint c^\dagger_i c_i - \alpha.

Wouldn't the 2nd \mu_{k=0} term be considered a constant shift of the energy bands then (albeit only at k=0, which leads to some discontinuous effects?)

The term in the \epsilon_k-\mu_k doesn't inherit the constraint value, \alpha.

Also, how does one vary with respect to \mu_k to find the ground state energy? It seems I could arbitrarily set \mu_k as big as possible (hence enforcing the constraint), but yet doesn't seem really physical to me...

I guess I'm just confused over this constraint business.

I refer to a similar part in Griffiths QM, pg 237,238 (Chapter 5.4.3).
In Eq 5.88 and 5.89, we vary G, but we see that \frac{\partial G}{\partial N_n} is independent of N which was the constraint. So how is this constraint enforced in the first place?
 
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