Enum Screening 

pub enum Screening {
    ZblUniversal,
    KrC,
    Moliere,
    LenzJensen,
}

Screening function phi(x), x = r / a.

Variants

ZblUniversal

ZBL “universal” screening: four exponentials fitted to Hartree-Fock-Slater solid-state pair potentials. J. F. Ziegler, J. P. Biersack, U. Littmark, The Stopping and Range of Ions in Solids (Pergamon, 1985), Ch. 2.

KrC

Kr-C potential: three exponentials fitted to Hartree-Fock Kr-Kr pair interaction. W. D. Wilson, L. G. Haggmark, J. P. Biersack, Phys. Rev. B 15, 2458 (1977).

Moliere

Moliere’s approximation to the Thomas-Fermi function: three exponentials. G. Moliere, Z. Naturforsch. A 2, 133 (1947).

LenzJensen

Lenz-Jensen screening, a polynomial-times-exponential approximation of the Thomas-Fermi-Jensen statistical model. W. Lenz, Z. Phys. 77, 713 (1932), doi:10.1007/BF01342150; H. Jensen, Z. Phys. 77, 722 (1932), doi:10.1007/BF01342151. Polynomial form and argument scale as tabulated in W. Moller, Fundamentals of Ion-Solid Interaction, HZDR-073 (Helmholtz-Zentrum Dresden-Rossendorf, 2017), p. 11, eq. (28); see LJ_P (private; see its comment in the source) for the verification status.

Implementations

impl Screening

pub const ALL: [Screening; 4]

All implemented screening functions.

pub fn phi(self, x: f64) -> f64

Screening function value phi(x).

pub fn dphi(self, x: f64) -> f64

Derivative dphi/dx.

pub fn exponential_terms(self) -> Option<&'static [(f64, f64)]>

The (c_i, b_i) terms of a sum-of-exponentials screening function phi(x) = Sum_i c_i exp(-b_i x), or None for Lenz-Jensen. Used by the analytic stopping asymptote in the scattering tests and the validation harness (lindhard/tests/validation).

pub fn default_length(self) -> ScreeningLength

The screening length conventionally paired with this function (the pairing used where the function was introduced or fitted): ZBL universal with the universal length, Kr-C and Moliere with the Firsov length, Lenz-Jensen with the Lindhard (Thomas-Fermi) length.

Trait Implementations

impl Clone for Screening

fn clone(&self) -> Screening

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for Screening

impl Debug for Screening

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

Formats the value using the given formatter.

impl Eq for Screening

impl Hash for Screening

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl PartialEq for Screening

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for Screening