ampsci
c++ program for high-precision atomic structure calculations of single-valence systems
Typedefs | Enumerations | Functions
DiracHydrogen Namespace Reference

Exact relativistic hydrogen-like (Coulomb) wavefuntions. More...

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)
 

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