Skip to main content

correlation_potential

Function correlation_potential 

Source
pub fn correlation_potential(rho: f64) -> f64
Expand description

Perdew-Zunger correlation potential, Salvat (2003) Eqs. (6)-(7) (sign of (7a) as discussed in the module docs), hartree, for density rho (bohr^-3). Zero for rho <= 0 (the r_s -> infinity limit).