Description
Book SynopsisThis invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree-Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.
Table of ContentsThe rise of atomic theory; the birth of quantum mechanics; wave mechanics; particle in a box; quantum-mechanical operators; the free particle; the harmonic oscillator; the central-field problem; the hydrogen atom; the spinning electron; the periodic table by electron counting; the variational method; diatomic molecules; vibration and rotation of diatomic molecules; atomic term symbols; atomic terms, wavefunctions and energies; electronic terms of diatomic molecules; the Hartree-Fock method; density-functional theory.
