2021/11/11

3 exercises. H atom, H2+ molecules, H2 molecule.

For convenience we choose S z. Because, in spherical coordinates, the equation for operator S z is
represented y a simpler way.

We get the eigenvalue equations for the functions, because we separate in a radial and angular
functions.

In atomic units, the units of the angular momentum is h-bar.

We cannot find at the same time the three components of the vector. But, we can find the modulus and
the projection on the z axis. Then creates a family of vectors forming a cone.

Particle in a central potential

By a convention, the attraction goes to negative to positive (?)

On this problem, it is convenient to express the Laplacian on spherical coordinates.

When the eigenvalue Is negative we have bound states, we introduce a new quantum number, n, which
depends on the value of l. This En energy depends on the nucleus charge, and a distance a, which is
slightly different from the Bohr radius, since the last uses the electron mass, and the former considers
the reduced mass.

When the eigenvalue is positive, we are on unbound states. Energies are not more quantized. Energy is
-1/2 Hartree.

Hydrogenoid are ions with a single electron.

The radial function

All have the same structure.

A polynomial expression multiplied by an exponential expression.

Px, py, and pz is a function of energy.

Where most probable to find the atom is on the top of the nucleus