Előadó: Legeza Örs (SZFI)
Előadás címe: Novel approaches in material science and ab initio quantum chemistry via tensor network state methods
Dátum: Tuesday, 5 April 2022, 10:00,
Helyszín: Bldg 1, auditorium, illetve online: https://wigner-hu.zoom.us/j/86542169672?pwd=Nkl5MkRnc1YxcW5iOElzeXhZNDQ… Meeting ID: 865 4216 9672 Passcode: 787267
Összefoglaló:
Tensor network states and specifically matrix-product states have proven to be a powerful tool for simulating strongly correlated spin and fermionic systems. In this contribution, we overview tensor network state techniques that can be used for the treatment of high-dimensional optimization tasks used in many-body quantum physics with long-range interactions and ab initio quantum chemistry. We will also discuss the controlled manipulation of the entanglement, which is in fact the key ingredient of such methods, and which provides relevant information about correlations. Recent developments on fermionic orbital optimization, tree tensor network states, multipartite entanglement, time-dependent variational principle (TDVP), externally corrected coupled cluster density matrix renormalization group (DMRG-TCCSD) method, will be discussed in more detail. Finally, new results will be shown for extended periodic systems in one- and two dimensions, for topologically protected end spins in carbon nanotubes, for transition metal complexes, graphene nanoribbons and Wigner crystals.
