Class BasisFunction

java.lang.Object

org.episteme.natural.chemistry.computational.quantum.BasisFunction

public class BasisFunction
extends Object

Represents a Contracted Gaussian Type Orbital (CGTO) basis function. Currently supports S-type orbitals.

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Constructor Summary

Constructors

Constructor	Description
BasisFunction(Vector<Real> center, double[] exponents, double[] coefficients)

Method Summary

Modifier and Type	Method	Description
Vector<Real>	getCenter()
double[]	getCoefficients()
double[]	getExponents()
double[]	getNormalization()

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

BasisFunction

public BasisFunction(Vector<Real> center,
 double[] exponents,
 double[] coefficients)

Method Details

getCenter

public Vector<Real> getCenter()

getExponents

public double[] getExponents()

getCoefficients

public double[] getCoefficients()

getNormalization

public double[] getNormalization()