Titlebook: Relativistic Quantum Theory of Atoms and Molecules; Theory and Computati I. P. Grant Book 2007 Springer-Verlag New York 2007 Dirac equation

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Relativistic calculation of molecular properties possible to identify new lines in the solar spectrum. Sections 11.3–11.6 concern electromagnetic properties of atoms and molecules: Zeeman effect, hyperfine interactions, NMR shielding constants. Section 11.7 presents results for a few molecules containing high-Z atoms.

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Book 2007tics, the reader will gain some idea of how to use these programs to predict energy levels, ionization energies, electron affinities, transition probabilities, hyperfine effects and other properties of atoms and molecules..

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Complex atomssuch systems can have no preferred orientation. Angular momentum theory can only play a subordinate role in molecules where, away from the nuclei, the electrons move in a nonspherical force-field shaped by the nuclear skeleton.

CHIDE

Molecular structure methodslation may surprise those familiar with the conventional treatment of relativistic molecular structure in terms of a confusing plethora of relativistic corrections. The perturbation operators generating these corrections can be quite difficult to handle, and their complexity can obscure rather than illuminate the underlying physics.

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Relativity in atomic and molecular physicsls atoms and molecules with a many-particle Schrodinger equation whose solutions enable us to predict physical quantities. The nuclei are represented as point masses; the .-th nucleus carries a positive electric charge ..., say, whilst each electron, some 2000 times lighter than the individual nucle

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