Pub. Date:
Elsevier Science
Relativistic Electronic Structure Theory: Part 2. Applications

Relativistic Electronic Structure Theory: Part 2. Applications

by Elsevier Science


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Product Details

ISBN-13: 9780444512994
Publisher: Elsevier Science
Publication date: 03/19/2004
Series: Theoretical and Computational Chemistry Series , #14
Pages: 804
Product dimensions: 1.69(w) x 6.14(h) x 9.21(d)

Table of Contents

The Chemistry of the Superheavy Elements and Relativistic Effects.

Accurate Relativistic Fock-Space Calculations for Many-Electron Atoms.

Accurate Relativistic Calculations Including QED
Contributions for Few-Electron Systems.

Parity-Violation Effects in Molecules.

Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules.

Two-Component Relativistic Effective Core Potential
Calculations for Molecules.

Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters

Relativistic Pseudopotential Calculations for Electronic Excited States

Relativistic Effects on NMR Chemical Shifts.

Relativistic Density Functional Calculations on Small Molecules.

Quantum Chemistry with the Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory: Efficient Methods for Molecules and Materials.

Relativistic Solid State Calculations.

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