Methods in Computational Chemistry

ISBN-13: 9780306442636 / Angielski / Twarda / 1993 / 349 str.

S. Wilson

Opis

Providing specialist reviews and analyses of contemporary theories, algorithms, and techniques, this series aims to facilitate the effective exploitation of available computing power. The current volume focuses on the theoretical determination of atomic and molecular properties as related to wave functions, electron densities, and total energies.

Spis treści

The Effects of Electron Correlation on Atomic Properties (K. Jankowski). Calculation of P and T Violating Properties in Atoms and Molecules (A.M. MartenssonPendrill). Theory and Computation of Molecular Properties (B.T. Pickup). Perturbation Theory of Atomic and Molecular Properties (S. Wilson). Index.