Quantum chemistry is a branch of physical chemistry that applies quantum mechanics to chemical systems, such as molecules, materials, and solutions. Quantum chemistry aims to solve the SchrÃdinger equation for these systems and calculate their physical and chemical properties, such as structures, spectra, and thermodynamic properties. Quantum chemistry also studies the quantum effects on molecular dynamics and chemical kinetics.
One of the textbooks that covers the basic concepts and applications of quantum chemistry is Quantum Chemistry by R.K. Prasad. This book is intended for M.Sc students and covers the syllabus prescribed by UGC to all Indian universities. The book contains 14 chapters that cover topics such as the development of quantum mechanics, the SchrÃdinger equation, translational, vibrational, and rotational motions, perturbation and variation methods, atomic structure, molecular orbital and valence bond theories, molecular symmetry and group theory, and some advanced topics such as Hartree-Fock method, configuration interaction, extended Huckel theory, etc.
The book is written in a clear and concise manner, with mathematical derivations presented in full details. The book also provides illustrative examples and practice problems with hints in every chapter. The book is suitable for self-study as well as classroom teaching. The book also includes bibliographical references and an index for further reading.
Quantum Chemistry by R.K. Prasad is a comprehensive and updated textbook that covers the fundamentals and applications of quantum chemistry in a rigorous and accessible way. It is a valuable resource for students and teachers of quantum chemistry.
One of the features of Quantum Chemistry by R.K. Prasad is that it presents the quantum mechanical formalism in a simple and intuitive way. The book starts with the historical development of quantum mechanics and introduces the basic postulates and operators of quantum mechanics. The book then applies these concepts to various physical systems, such as particles in a box, harmonic oscillators, rigid rotors, hydrogen atom, etc. The book also explains the concepts of eigenvalues, eigenfunctions, degeneracy, normalization, orthogonality, and expectation values.
Another feature of Quantum Chemistry by R.K. Prasad is that it covers both the molecular orbital and valence bond theories of chemical bonding. The book explains the principles and methods of constructing molecular orbitals from atomic orbitals, such as the linear combination of atomic orbitals (LCAO) method and the molecular orbital diagrams. The book also discusses the concepts of bond order, bond length, bond energy, bond angle, hybridization, resonance, and molecular polarity. The book also compares and contrasts the molecular orbital and valence bond theories and their advantages and limitations.
A third feature of Quantum Chemistry by R.K. Prasad is that it introduces the molecular symmetry and group theory and their applications to quantum chemistry. The book explains the concepts of symmetry elements, symmetry operations, point groups, character tables, reducible and irreducible representations, and symmetry-adapted linear combinations (SALCs). The book also shows how to use group theory to simplify the calculation of molecular integrals, selection rules for spectroscopy, and molecular orbital diagrams. 061ffe29dd