Local potential functional embedding theory: On the way towards quantum chemistryGulin, Martin Rafael (Avtor) Fromager, Emmanuel (Mentor) Podlipnik, Črtomir (Komentor) quantum chemistryquantum embeddingHouseholder transformationHubbard modelThis master thesis describes an extension of a quantum embedding method called local potential functional embedding theory (LPFET). We have been able to find in-principle-exact connection between Kohn-Sham density functional theory (KS-DFT) and density matrix embedding theory (DMET), and based on this we have found a similar algorithm for more general, nonuniform model Hamiltonian operators (the Hubbard model). On the basis of this connection, we present a new embedding scheme with similar simplifications. The results shown in this work demonstrate that the generalized version of the LPFET successfully computes the electron density and energy of low- and medium-correlated systems. The newly developed extension of the method serves as a first step in extending the LPFET algorithm to applications in chemical ab initio Hamiltonian operators.20222022-11-28 12:24:46Magistrsko delo/naloga142819VisID: 22122COBISS_ID: 135280131sl