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David Strubbe edited Casida, Tamm-Dancoff, and excited-state forces.tex
over 9 years ago
Commit id: 5e4831d5dc1719247da724514b955bc78481cedc
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\begin{align}
\left( A + B \right) \vec{x} = \omega \vec{x}
\end{align}
The Tamm-Dancoff approximation to these equations is identical to the ordinary TDDFT Tamm-Dancoff approximation.
Note that all of the levels of theory we have discussed use the same Coulomb and $f_{\rm xc}$ matrix elements, so the code can calculate the results for multiple levels of theory with a small extra effort.
For a non-spin-polarized system, the excitations separate into a singlet and a triplet subspace,
which are superpositions of singlet and triplet KS transitions: