Articoli correlati a Methods in Computational Chemistry

Methods in Computational Chemistry - Rilegato

 
9780306442636: Methods in Computational Chemistry

Sinossi

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.

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Contenuti

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.

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