Properties

Charges for SCF wavefunctions can be computed in several ways:

• Restrained electrostatic potential (RESP) charges¹
• Mulliken charges
• Lowdin charges
• Voronoi Deformation Density (VDD) charges²

Polarizabilities

---

1. C. Bayly, P. Cieplak, W. Cornell, and P. Kollman, J. Phys. Chem. 97 10269 (1993). ↩

2. C. F. Guerra, J.-W. Handgraaf, E. J. Baerends, and F. M. Bickelhaupt, J. Comp. Chem. 25 189 (2004) ↩