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Perspective: Relativistic effects

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269 Scopus citations

Abstract

This perspective article discusses some broadly-known and some less broadly-known consequences of Einsteins special relativity in quantum chemistry, and provides a brief outline of the theoretical methods currently in use, along with a discussion of recent developments and selected applications. The treatment of the electron correlation problem in relativistic quantum chemistry methods, and expanding the reach of the available relativistic methods to calculate all kinds of energy derivative properties, in particular spectroscopic and magnetic properties, requires on-going efforts.

Original languageEnglish
Article number150902
JournalJournal of Chemical Physics
Volume136
Issue number15
DOIs
StatePublished - Apr 21 2012

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