Beschreibung:
This book introduces the reader to the theory and methodology of quantum-mechanical modeling of chemical and biological systems. Given the immense complexity of such systems, there is a constant search for new methods.
1. Legendre Polynomials 2. Associated Legendre Functions 3. Spherical Harmonics 4. Angular Momentum 5. Wigner Matrix 6. Clebsch-Gordan Coefficients 7. Recurrence Relations for Wigner Matrix 8. Solid Harmonics 9. Electrostatic Force 10. Scaling of Solid Harmonics 11. Scaling of Multipole Translations 12. Fast Multipole Method 13. Multipole Translations along the z-Axis 14. Rotation of Coordinate System 15. Rotation-Based Multipole Translations 16. Periodic Boundary Condition