C..4 B88: Becke 1988 Exchange Functional

manual quickstart instguide update basis

Next: C..5 B88C: Becke 1988 Up: C. Density functional descriptions Previous: C..3 B86R: X Re-optimised Contents Index

C..4 `B88`: Becke 1988 Exchange Functional

See reference [1] for more details.

$\begin{dmath} G=- \left( \rho \left( s \right) \right) ^{4/3} \left( c+{\frac {\... ...ht) {\it arcsinh} \left( \chi \left( s \right) \right) }} \right) ,\end{dmath}$

$\begin{dmath} g=- \left( \rho \left( s \right) \right) ^{4/3} \left( c+{\frac {\... ...ht) {\it arcsinh} \left( \chi \left( s \right) \right) }} \right) ,\end{dmath}$

$\begin{dmath} c=3/8 \sqrt [3]{3}{4}^{2/3}\sqrt [3]{{\pi }^{-1}} ,\end{dmath}$

$\begin{dmath} \beta= 0.0042 .\end{dmath}$

molpro@molpro.net 2010-07-28