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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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Analysis and approximation of Dirac Hamiltoniansconstructing numerical solutions of the Dirac equation. Whilst simple problems such as the structure of hydrogenic atoms can be solved analytically, the majority of applications to many-electron systems can only be solved approximately. Some progress can be made using methods of functional analysis
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Complex atomsectron . and .. = 1/.. + ..(..) represents the interaction energy of electrons . and .. In most applications, the central core of the atom is dominated by electrons in spherically symmetric closed shells, so that we expect an independent particle central field model to be a good starting point. This
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Continuum processes in many-electron atoms, plasma physics and controlled thermonuclear fusion, laser physics, isotope separation, and surface science. Experiments have sought to reveal details of the dynamics of a myriad of processes at a fundamental level. In this chapter, we examine several topics in which a relativistic formulation is d
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Relativistic calculation of molecular propertieshandles molecular symmetry involving relativistic double point groups. Section 11.2 examines the Born-Oppenheimer potential energy surfaces of water and similar small molecules where the relativistic effects, although small, unexpectedly improved the calculated rotation-vibration spectra and made it
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