ampsci
High-precision calculations for one- and two-valence atomic systems
DiracHydrogen Namespace Reference

Detailed Description

Exact relativistic hydrogen-like (Coulomb) wavefuntions.

in form phi = (1/r)(f O, ig O')

From: H. A. Bethe and E. E. Salpeter, Quantum Mechanics of One-and Two-Electron Atoms (Plenum, New York, 1977).

Note: Uses some numerically unstable functions, including Gamma functions and confluent hypergeometric functions. So, for some inputs, may be numerically unstable. For reasonable inputs (i.e., Zeff=5, up to n=~10), good to at least parts in 10^12

Typedefs

using DiracQN = qip::StrongType< DiracTypes::DiracQN, int >
 
using AlphaFS = qip::StrongType< DiracTypes::AlphaFS, double >
 
using Zeff = qip::StrongType< DiracTypes::Zeff, double >
 
using PrincipalQN = qip::StrongType< DiracTypes::PrincipalQN, double >
 
using RaB = qip::StrongType< DiracTypes::RaB, double >
 

Enumerations

enum class  DiracTypes {
  DiracQN , AlphaFS , Zeff , PrincipalQN ,
  RaB
}
 

Functions

double enk (PrincipalQN n, DiracQN k, Zeff z, AlphaFS a)
 Energy, without rest mass.
 
double Enk (PrincipalQN n, DiracQN k, Zeff z, AlphaFS a)
 Enk = enk + c^2.
 
double gamma (DiracQN k, Zeff z, AlphaFS a)
 Relativistic factor gamma = Sqrt[k^2 - (aZ)^2].
 
double f (RaB r, PrincipalQN n, DiracQN k, Zeff z, AlphaFS a)
 Upper radial component.
 
double g (RaB r, PrincipalQN n, DiracQN k, Zeff z, AlphaFS a)
 Lower (small) radial component.
 
double gfratio (double r, int k, double z, double a, double e, double m)
 

Function Documentation

◆ enk()

double DiracHydrogen::enk ( PrincipalQN  n,
DiracQN  k,
Zeff  z,
AlphaFS  a 
)

Energy, without rest mass.

◆ Enk()

double DiracHydrogen::Enk ( PrincipalQN  n,
DiracQN  k,
Zeff  z,
AlphaFS  a 
)

Enk = enk + c^2.

◆ gamma()

double DiracHydrogen::gamma ( DiracQN  k,
Zeff  z,
AlphaFS  a 
)

Relativistic factor gamma = Sqrt[k^2 - (aZ)^2].

◆ f()

double DiracHydrogen::f ( RaB  r,
PrincipalQN  n,
DiracQN  k,
Zeff  z,
AlphaFS  a 
)

Upper radial component.

◆ g()

double DiracHydrogen::g ( RaB  r,
PrincipalQN  n,
DiracQN  k,
Zeff  z,
AlphaFS  a 
)

Lower (small) radial component.