https://www.selleckchem.com/pr....oducts/17-DMAG,Hydro
To demonstrate the potential of this method, called tensor product selected configuration interaction (TPSCI), we present numerical results for a diverse set of examples (1) modified Hubbard model with different inter- and intracluster hopping terms, (2) less obviously clusterable cases of bond breaking in N2 and F2, and (3) ground state energies of large planar π-conjugated systems with active spaces of up to 42 electrons in 42 orbitals. These numerical results show that TPSCI can be used to significantly reduce the
Mi piace
Commento
Condividi
