REVIEW OF CURRENT METHODS OF EVALUATION OF INTERMOLECULAR INTERACTIONS BETWEEN LARGE MOLECULES

Abstract

Ab initio calculations on i&raetion between small molecules are within the reach of 'present-day ' computers, while for large molecules, the computational costs prohibit such studies. The various semi-empirical schemes, approximating the pb initio methods that are currently in use suitable for the evaluation of electrostatic, exchange, polarisation, deiocalisation, and dispersion forces, between Large molecules are presented. Certain ' unsolved' problems arising due to advances in the SCF theory of molecules are also documented.