Theory of quantum chemistry. Tutorial

The training manual briefly sets out the basic theories of quantum chemicals. A comparative analysis of the computational efficiency of these theories of computational algorithms that realize these theories is performed in terms of the ratio of "accuracy - resource intensity". Significant attention is paid to the problem of accounting for electronic correlation, as well as relativistic quantum -chemical effects. Fell the requirements of federal state educational standards of higher education of the latest generation.
intended for students of bascalamaria of higher educational institutions, can be used by graduate students studying the issues of material science, structural, organic and physical chemistry, molecular biology and biophysics, biotechnology