OneElectronIntegrals (Episteme API Documentation)

java.lang.Object

org.episteme.natural.chemistry.computational.quantum.OneElectronIntegrals

public class OneElectronIntegrals extends Object

Holds One-Electron Integrals (Core Hamiltonian H and Overlap S).

Since:: 1.0
Author:: Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Constructor Summary

Constructors

Constructor

Description

OneElectronIntegrals(Matrix<Real> coreHamiltonian, Matrix<Real> overlap)
Method Summary

Modifier and Type

Method

Description

Matrix<Real>

getCoreHamiltonian()

Matrix<Real>

getOverlap()

Methods inherited from class Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details
- OneElectronIntegrals
  
  public OneElectronIntegrals(Matrix<Real> coreHamiltonian, Matrix<Real> overlap)
Method Details
- getCoreHamiltonian
  
  public Matrix<Real> getCoreHamiltonian()
- getOverlap
  
  public Matrix<Real> getOverlap()