Iliaš, Miroslav, 1975- Relativistic effects in atomic and molecular properties = Relativistické efekty v atómových a molekulových vlastnostiach / Miroslav Iliaš, Vladimir Kelloe, Miroslav Urban. -- Prehľad základných princípov a metód relativistickej kvantovej chémie. We present an overview of basic principles and methods of the relativistic quantum chemistry. Practical aspects of different methods will be discussed stressing their capability of providing accurate predictions of molecular properties, particularly in species containing a heavy metal element. We will present a series of examples showing the importance of relativistic effects in a variety of molecular properties including electron affinities, ionization potentials, reaction and dissociation energies, electric, spectroscopic and other properties. It is possible to recognize a link between these properties and behaviour of materials in some cases.

In Acta Physica Slovaca. -- Bratislava : Slovak Academy of Sciences, 2010. -- ISSN 0323-0465. -- ISSN 1336-040X. -- Vol. 60, no. 3 (2010), pp. 259-391

1. electron correlation 2. change of picture 3. ionization potentials 4. electron affinities 5. dipole moments and polarizabilities 6. nuclear quadrupole moments 7. multiple bonds 8. intermolecular interactions

I. Kelloe, Vladimir
II. Urban, Miroslav
III. Acta Physica Slovaca. -- Vol. 60, no. 3 (2010), pp. 259-391

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