Package org.openscience.cdk.math.qm

Interface Summary

Interface	Description
IBasis	A basis set must implement this class.

Class Summary

Class	Description
AngularMomentum	This class is used to calculate angular momentum states.
ClosedShellJob	Calculates the orbitals and orbital energies of electron systems with closed shells
FourierGridBasis	At this time this class does not work correcly.
GaussiansBasis	This class contains the information to use gauss function as a base for calculation of quantum mechanics.
OneElectronJob	Calculates the orbitals and orbital energies of electron systems without electron electron interactions
Orbitals	This class represents a set of orbitals
SimpleBasisSet	This class will generate a simple base set for a atom container.