Quantum Chemistry

The book is designed to provide an integrated approach to the conceptual development of quantum chemistry and to its application in current research questions. It is intended to be modest and straightforward, easily completed in its entirety either in a onesemester formal course (at the advanced undergraduate or beginning graduate level).This modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties. Covers such areas as the SchrOdinger Equation, harmonic oscillator, angular momentum, hydrogen atom, theorems of quantum mechanics, electron spin and the Pauli Principle, the Virial Theorem and the Hellmann-Feynman Theorem, and more. Contains solid presentations of the mathematics needed for quantum chemistry, clearly explaining difficult or subtle points in detail. Offers full, step-by-step examinations of derivations that are easy to follow and understand. Offers comprehensive coverage of recent, revolutionary advances in modern quantum-chemistry methods for calculating molecular electronic structure, including the semi empirical methods for molecular calculations.

Auteur

By Jyoti Kumar Roshan