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Electronic g-tensors

\fbox{
\parbox[h][\height][l]{12cm}{
\small
\noindent
{\bf Reference literature:...
...wblock {\em J.Chem.Phys.}, {\bf 119
},\hspace{0.25em}10489, (2003).
\end{list}}}

The calculation of electronic g-tensors is invoked with the keyword .G-TENSOR in the *ESR section of the **RESPONSE input module

**DALTON INPUT
.RUN RESPONSE
**WAVE FUNCTIONS
.HARTREE-FOCK
**RESPON
*ESR
.G-TENSOR
**END OF DALTON INPUT
which gives by default all contributions to the g-tensor to second order in the fine-structure parameter. Keywords following the .G-TENSOR keyword will be interpreted as g-tensor options, which are defined in section 26.1.11



Dalton Manual - Release 1.2.1