Package org.openscience.cdk.math.qm
package org.openscience.cdk.math.qm

ClassDescriptionThis class is used to calculate angular momentum states.Calculates the orbitals and orbital energies of electron systems with closed shellsAt this time this class does not work correcly.This class contains the information to use gauss function as a base for calculation of quantum mechanics.A basis set must implement this class.Calculates the orbitals and orbital energies of electron systems without electron electron interactionsThis class represents a set of orbitalsThis class will generate a simple base set for a atom container.