DKH relativistic effect with spin-orbit interaction ?

Hanning Chen chenh... at
Mon Apr 11 05:01:33 UTC 2011

Dear Cp2k community,

  I am wondering whether the Douglas-Kroll-Hess relativistic effect
implemented in CP2k includes spin-orbit interaction?

  In other words, does the DKH Hamiltonian have one or two components?


Hanning Chen

Department of Chemistry
Northwestern University
Evanston, IL 60091
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