Theoretical chemistry and physics of heavy and superheavy elements
There has been a growing interest in relativistic quantum chemical methods and the associated computational algorithms which facilitate their application. This book provides a detailed description of the application of relativistic quantum mechanics to the many-body problem in the theoretical chemistry and physics of heavy and superheavy elements.
1 online resource
9781402013713, 140201371X
1012461855
1 Theoretical Chemistry and Physics of Heavy and Superheavy Elements.- 2 Basic elements of relativistic quantum mechanics.- 3 The Chemistry of the Heaviest Elements.- 4 Core and valence electron distributions in heavy elements by x-ray and electron spectroscopy.- 5 Four-component electronic structure methods for atoms.- 6 Four-component electronic structure methods for molecules.- 7 Relativistic electron correlation theory.- 8 Matrix Approximations to the Dirac Hamiltonian for Molecular Calculations.- 9 Two-component methods.- 10 Relativistic Pseudopotentials.- 11 Relativistic Density Functional Theory.- 12 QED effects in atoms.
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