Elements of quantum mechanics with chemical applications

Thomas Freeman Babson

Mehdi Hage-Hassan

Quantum mechanics originates from the study of the spectrum of hydrogen atom and the black body radiation and the development of this theory has been very successful for the study of atoms, the nucleus and the classification of elementary particles using SU (3) group. But the course of quantum mechanics in the second year should be revised to take account of these developments not only in terms of program but also from an educational point of view, especially for students of mathematical orientation. In this work we give an idea about the origin of quantum mechanics and we summarize the Schrodinger, the Dirac formalisms of quantum mechanic and the path integral. After exposing the Dirac's method of the oscillator we treat the Schwinger's approach of angular momentum. We present the theory of the central potential, the Quarks model and the classification: of chemical elements and elementary particles. We present a summary of the approaches of group theory. We present the theory of SU (3) and the decomposition of tensor product of SU (3). To take account of level of students we use in the applications our generating function method for its simplicity.

Linus Carl Pauling

G. Spinolo, Paolo Ghigna

When compared to classical mechanics (CM), quantum mechanics (QM) clearly appears as a difficult topic to the beginner. However, some knowledge of the basics of QM is a real need also for learners with predominant interest in experimental chemistry. Indeed, QM is the physical theory explaining most fundamental aspects of Chemistry, such as the periodic table of the elements and the chemical bond now called covalent, found by 19th century chemists and for a long time recognized as incompatible with the physical theories of the time (CM and classical electromagnetism). Going beyond the historical point of view, many peculiar aspects of QM and its very language permeate all modern chemistry so that a trustworthy understanding is required to deal with the matter in a sensible way.

Seogjoo Jang

N. J. B. Green

Quantum Mechanics 2 opens by stating that the chemist's approach to the understanding of matter and its chemical transformations is to take a microscopic view, connecting experimental observation with the properties of the constituent molecules. Atoms and sub-atomic particles do not obey the classical laws of mechanics but conform rather to the laws of quantum mechanics. Quantum mechanics is thus of central importance in chemistry. In order to understand the behaviour of molecules and their constituent particles it is necessary to have a thorough grounding in the principles and applications of quantum mechanics. This text provides a toolkit for applying quantum mechanics to chemical problems, introducing more advanced approaches using approximate methods. It describes areas of chemistry where quantum mechanics is important, and shows how quantum mechanics can be applied to chemical problems.