愤世嫉俗者 发表于 2025-4-1 02:04:06
Structural and Electronic Properties of Compound Metal Clusters,n calculated using ab initio self-consistent field linear combination of atomic orbitals — molecular orbital (SCF-LCAO-MO) method. The exchange energies are calculated exactly using the unrestricted Hartree-Fock (UHF) method whereas the correlation correction is included within the framework of conf