Relativistic Quantum Theory of Atoms and Molecules: Theory and Computation (Google eBook)

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Springer Science & Business Media, Apr 15, 2007 - Science - 824 pages
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Relativistic quantum electrodynamics, which describes the electromagneticinteractions of electrons and atomic nuclei, provides the basis for modeling the electronic structure of atoms, molecules and solids and of their interactions with photons and other projectiles. The theory underlying the widely used GRASP relativistic atomic structure program, the DARC electron-atom scattering code and the new BERTHA relativistic molecular structure program is presented in depth, together with computational aspects relevant to practical calculations. Along with an understanding of the physics and mathematics, 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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Contents

Relativity in atomic and molecular physics
3
Relativistic wave equations for free particles
63
References
119
The Dirac Equation
121
References
253
References
322
References
391
References
431
References
584
References
624
References
664
B4 Relativistic symmetry orbitals for double point groups
717
B6 Finite difference methods for Dirac equations
733
B7 Eigenfunction expansions for the radially reduced Dirac
757
B8 Iterative processes in nonlinear systems of equations
769
Construction of E coefficients
777

References
467
References
529

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