First-principles calculation of electron spin-rotation tensors

Journal of Physical Chemistry A

Volumn 114, Issue 34, 2010, Pages 9246-9252

  Tarczay, György ^a   Szalay, Péter G ^a   Gauss, Jürgen ^b  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BENCHMARK CALCULATIONS; COUPLED CLUSTERS; ELECTRON SPINS; FIRST-PRINCIPLES CALCULATION; HARTREE-FOCK; TRIPLE EXCITATION; TRIPLES MODEL;

ROTATION; SPIN DYNAMICS;

TENSORS;

EID: 77956143039     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp103789x     Document Type: Article

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