Saturday, March 18, 2017

quantum mechanics - Numerical exact diagonalization of tight binding Hamiltonian


I want to exactly diagonalize the following Hamiltonian for 10 number of sites and 4 number of spinless fermions H=tL1i[cici+1cici+1]+VL1inini+1

here L is total number of sites, creation (c) and annihilation (c) operators are defined as following c=[0010]
and ni=cici is number operator.


To exactly diagonalize (for simplicity let's take L=4 sites), one can expand H as


H=t[c1σz1c2I3I4+I1c2σz2c3I4+I1I2c3σz3c4]+h.c.+V[n1n2I3I4+I1n2n3I4+I1I2n3n4]

where σz (Pauli matrix) is just simple matrix multiplication for the sake of anti-commutation relation.


So far so good. (please correct me if I am doing anything wrong)!



Question:


I used the above method and numerically calculated the ground state and found that above method gives correct results for V=0 but when V0 the results are wrong.


Eventually, I get to the point that I am not taking care of number of particles in the system. How do we numerically diagonalize a Hamiltonian matrix in the sector with chosen number of particles?




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