Orbitals

Chemistry / orbitals.yaml
23 records
3 sections
orbital_types 4 electron_configurations 18 wavefunction_polynomials 1

orbital types

LSymbolDescription
0 s Spherical symmetry. Probability density is non-zero at the nucleus (for n=1).
1 p Dumbbell shape. Three orthogonal orbitals (px, py, pz). Node at nucleus.
2 d Cloverleaf shape (mostly). Five orbitals. Complex nodal structures.
3 f Complex multi-lobed shapes. Seven orbitals. Important for Lanthanides/Actinides.

electron configurations

ElementNLCount
H 1 s 1
He 1 s 2
C 1 s 2
C 2 s 2
C 2 p 2
O 1 s 2
O 2 s 2
O 2 p 4
Fe 1 s 2
Fe 2 s 2
Fe 2 p 6
Fe 3 s 2
Fe 3 p 6
Fe 3 d 6
Fe 4 s 2
Au 4 f 14
Au 5 d 10
Au 6 s 1

wavefunction polynomials

Hydrogen 2s Radial Factor
name
Hydrogen 2s Radial Factor
variable
rho
max degree
1
min
0
max
10
coefficients
0
2
1
-1