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Atomic orbitals: 7s equations

The symbols used in the following are:

  • r = radius expressed in atomic units (1 Bohr radius = 52.9 pm)
  • π = 3.14159 approximately
  • e = 2.71828 approximately
  • Z = effective nuclear charge for that orbital in that atom.
  • ρ = 2Zr/n where n is the principal quantum number (7 for the 7s orbital)
  • k = a constant (value to follow)
Table of equations for the 7s orbital.
Function Equation
Radial wave function, R7s = (1/k) × (5040 - 15120ρ + 12600ρ2 - 4200ρ3 + 630ρ4 - 42ρ5 + ρ6) × Z3/2 × e-ρ/2
Angular wave function, Y7s = 1 × (1/4π)1/2
Wave function, ψ7s = R7s × Y7s
Electron density = ψ7s2
Radial distribution function = 4πr2ψ7s2
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Document served: Monday 28th September, 2020