The Douglas–Kroll–Hess Approach

The Douglas–Kroll–Hess Approach

The Douglas-Kroll method is a system for calculating a variety of atomic and molecular systems containing heavy elements within the periodic table. A look at how this method assists in understanding molecular theory is offered.

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Bibliographische Detailangaben
Veröffentlicht in:Chemical reviews 2012-01, Vol.112 (1), p.385-402
Hauptverfasser: Nakajima, Takahito, Hirao, Kimihiko
Format: Artikel
Sprache:eng
Schlagworte:
Atoms & subatomic particles
Chemical elements
Heavy elements
Mathematical analysis
Molecular chemistry
Molecular theory
Periodic table
Theory
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Beschreibung
Zusammenfassung:The Douglas-Kroll method is a system for calculating a variety of atomic and molecular systems containing heavy elements within the periodic table. A look at how this method assists in understanding molecular theory is offered.
ISSN:0009-2665
1520-6890
DOI:10.1021/cr200040s