C..15 CS2: Colle-Salvetti correlation functional

R. Colle and O. Salvetti, Theor. Chim. Acta 37, 329 (1974); C. Lee, W. Yang and R. G. Parr, Phys. Rev. B 37, 785(1988)

CS2 is defined through

$$K = -a \left({ \rho+2b\rho^{-5/3} \left[ \rho_\alpha t_{\alpha} + \rh... ...ta t_{\beta} -\rho t_W \right] e^{-c\rho^{-1/3}} \over 1+d \rho^{-1/3} }\right)$$ (17)

where

$$t_{\alpha} = \frac{\tau_\alpha}{2}-\frac{\upsilon_\alpha}{8}$$ (18)

$$t_{\beta} = \frac{\tau_\beta}{2}-\frac{\upsilon_\beta}{8}$$ (19)

$$t_{W} = {1\over 8} {\sigma \over \rho} - {1\over 2} \upsilon$$ (20)

and the constants are $a=0.04918, b=0.132, c=0.2533, d=0.349$.