Unrestricted Hartree—Fock calculation of
✍
P. Botschwina
📂
Article
📅
1974
🏛
Elsevier Science
🌐
English
⚖ 453 KB
UHk SCF ulculations with ZI medium-sized basis set of gaussian lobe functions have been performed on the ground state of the X0 Ladical. All the harmonic and the diagonal cubic force constants have been calculated by thb force method of Pulay. From the force constants, vibrational frequexies have be