Computational Methods in Quantum ChemistryeBook - 1996
This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods. Chapter 3 is a description of the Hartree-Fock self-consistent field method, which is developed systematically for atoms. The Born-Oppenheimer approximation is introduced, and the numerical methods presented one by one there.
Publisher: Singapore ; River Edge, N.J. : World Scientific, Ă1996
Characteristics: 1 online resource (xii, 241 pages) : illustrations