Physics Asked on February 9, 2021
#tl;dr#
The single particle density matrix is directly related to NEGF as shown here, I wish to find a way to relate NEGF also to density matrices which describe probability distribution of many body states, such as those encountered by solving Liouville Von Neumann based equations for many body problems.
#General question#
I’m wondering regarding the relation between Green functions and the density matrix. I wish to know if one can form a link between density matrix approaches based on the Von Neumann equation, and its open system counter-parts, i.e. Lindblad or Redfield equations.
###Motivation###
###Main Question###
The intro above hinted that I’m interseted in the reduced density matrix of a sub-system coupled to a thermal bath, and is out of equilibrium. Even though I’m actually interested in such a system, for the sake of simplicity let his now discuss a system with a finite number of sites at thermal equilibrium.
The occupation probability of a specific site (and hence the single particle density matrix) can written in terms of equal time lesser Green functions as shown here, by:
$$
P_i=langle d_i^dagger (t) ;d_i (t)rangle= -iG_{ii}^<(t,t)
$$
I wish to know:
Can I define a coherence (in the density matrix sense) in terms of lesser Green functions by $rho_{ij}=langle d_i^dagger (t) ;d_j (t)rangle= -iG_{ij}^<(t,t)$? Is this equivalent to the off-diagonals of the density matrix?
Can these definitions be generalized to many particle states? The standard definition of density matrix defines the probability distribution over the Hilbert space regardless of whether the states under discussion are single or many particle states. However I’m not sure how to generalize the Green function definition of probability to learn something about the occupation many particle states, it only teaches me about the occupation of a specific site? Can it be done, and if so how?
#Specific Example#
Let us discuss a specific example of a $N=3$ site system, of fermions. The fact that I choose to discuss a fermionic system helps me as I cannot have more than 3 particles in my system and my Hilbert space is finite dimensional: $dim(V)=2^3=8$.
Any linear operator which maps this space to itself can be expressed as on $8times8$ matrix, and that includes the Green function for the system. As discussed in the comments this includes also the creation and annihilation, adn projection operators onto states.
First, in equilibrium I may just write $G^r(omega)=(I(omega+ieta)-H)^{-1}$.
If on the other hand I wish to relate to NEGF for future use, I may write the equations of motion for the NEGF and solve them.
At this point I’m already confused because the matrix form will yield an $8times8$ matrix with 36 independent quantities (even though $G^r$ isn’t hermitian the entires above and below the diagonal aren’t really independent). However if I think of in terms of two point correlation functions: $G_{ij}^r(t)=-itheta(t)langle{c_i(t),c_j^dagger(0)}rangle$, I don’t have that many options.
What went wrong?
As a side note, in response comments (now in chat) the the various Fock states can be written as multiplication of creation operators acting on the vacuum $|Omegarangle$. For instance two of the 8 states will be:
$$
|1,1,0rangle=c_2^dagger c_1^dagger|Omegarangle
|0,0,1rangle= c_3^dagger|Omegarangle
$$
and the projection operators onto these states would be:
$$
P_{|1,1,0rangle}=|1,1,0ranglelangle1,1,0|
P_{|0,0,1rangle}= |0,0,1ranglelangle0,0,1|
$$
If one wishes to write these projectors as matrices and chooses the basis outlined above as the standard basis ,the trivial result is that the matrices are filled with $0$‘s except for a single $1$ somewhere on the diagonal according to the specific projector.
Indeed, let us consider a one-particle operator $hat{O}$. Its average is given by $$langle hat{O}rangle = mathrm{tr}left[hat{rho}hat{O}right] = sum_{i,j}rho_{ij}O_{ij}.$$ In the second quantization representation the corresponding operator is $$hat{mathcal{O}} = int dx hat{psi}^dagger(x)hat{O}hat{psi}(x) = sum_{i,j}O_{ij}d_i^dagger d_j,$$ where the field operators are given by $hat{psi}(x) = sum_iphi_i(x) d_i$. The average of this operator is given by (now averaging is done in the Fock space) $$langle hat{mathcal{O}}rangle = sum_{i,j}O_{ij}langle d_i^dagger d_jrangle = sum_{i,j}O_{ij}rho_{ji}, $$ i.e. we can identify the density matrix as $rho_{ji} = langle d_i^dagger d_jrangle,$ paying attention to the order of indices. $langle d_i^dagger d_jrangle$ can be now calculated using a number of methods, including the Green's function approaches. With appropriate care this is generalizable to many-particle states.
Answered by Vadim on February 9, 2021
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