Kinetic and pseudopotential energies

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Kinetic and pseudopotential energies

From equations 7.6, 7.16 and 7.18 we have that

$\begin{displaymath} E_{\mathrm{kin,ps}} = T_{\mathrm s}^{\mathrm J} + E_{\mathrm... ...NL}} = 2 K^{ij} (T + V_{\mathrm{loc}} + V_{\mathrm {NL}})_{ji} \end{displaymath}$

(7.21)

and therefore

$\begin{displaymath} \frac{\partial E_{\mathrm{kin,ps}}} {\partial K^{\alpha \bet... ... 2 (T + V_{\mathrm{loc}} + V_{\mathrm {NL}})_{\beta \alpha} . \end{displaymath}$

(7.22)

Peter D. Haynes
1999-09-21