Struct ThomasFermiYukawa 

pub struct ThomasFermiYukawa;

Stand-in potential: a Yukawa (single exponential) screened Coulomb potential V = -(Z/r) exp(-r/a) with the Thomas-Fermi length a = 0.8853 a0 Z^(-1/3) (thomas_fermi_constant, Firsov 1958 / Lindhard, Scharff & Schiott 1963, see docs/data-provenance.md). It is not an atomic DHFS potential; it was the only potential while the Salvat et al. (1987) coefficients were missing, and remains a cheap one for tests and benchmarks.

Implementations

impl ThomasFermiYukawa

pub fn yukawa(z: u8) -> Result<Yukawa, ElasticError>

The stand-in potential of element z. A Yukawa is also an ElectronDensity (its Poisson density), which is what the optional exchange and correlation-polarization corrections need (AtomicElastic::compute_corrected).

Trait Implementations

impl Clone for ThomasFermiYukawa

fn clone(&self) -> ThomasFermiYukawa

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Copy for ThomasFermiYukawa

impl Debug for ThomasFermiYukawa

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Default for ThomasFermiYukawa

fn default() -> ThomasFermiYukawa

Returns the “default value” for a type.

impl PartialEq for ThomasFermiYukawa

fn eq(&self, other: &ThomasFermiYukawa) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl PotentialSource for ThomasFermiYukawa

fn potential(&self, z: u8) -> Result<Box<dyn ScreenedPotential>, ElasticError>

The potential of element z.

fn description(&self) -> String

One line naming the potential model and its origin. It is written into the table’s model and provenance strings.

impl StructuralPartialEq for ThomasFermiYukawa