Struct GaussianECP

Struct Documentation

struct GaussianECP

Describes a Gaussian of angular momentum l of the form d r^n e^{-ax^2}.

Public Functions

GaussianECP()

Default constructor, sets n=l=d=0, a=1.

GaussianECP(const int n, const int l, const double a, const double d)

Constructs a new GaussianECP.

Parameters

  • n – - power of r

  • l – - angular momentum

  • a – - exponent

  • d – - coefficient

GaussianECP(const GaussianECP &other)

Copy constructor.

Public Members

int n

Power of r.

int l

Angular momentum.

double a

Exponent.

double d

Coefficient.