Potential energy, dipole moment, polarizability of CH4-N2...
Kalugina, Yulia
In the present thesis both ab initio and analytical calculations were carried out for the potential energy, dipole moment and polarizability surfaces of the weakly bound van derWaals complexes CH4-N2 and C2H4-C2H4 for a broad range of intermolecular separations and configurations in the approximation of the rigid interacting molecules. For ab initio calculations the CCSD(T), CCSD(T)-F12 and less computationally expensive methods such as MP2, M...