Mathematical modeling and physical reality in noncovalent interactions

摘要: The Hellmann-Feynman theorem provides a straightforward interpretation of noncovalent bonding in terms Coulombic interactions, which encompass polarization (and accordingly include dispersion). Exchange, Pauli repulsion, orbitals, etc., are part the mathematics obtaining system’s wave function and subsequently its electronic density. They do not correspond to physical forces. Charge transfer, context is equivalent polarization. key point that mathematical models must be confused with reality.