https://www.selleckchem.com/pr....oducts/Acadesine.htm
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 number of SCI var
Beğen
Yorum Yap
Paylaş
