Hydrogen Atom Simulations

Khayla Black
Outline
I. Motivation and Introduction

II. Solving the Schrodinger Equation for Hydrogen

III. Time Evolution of Superpositions

IV. Solving the Dirac Equation for One-Electron Atoms

V. Finding the Energy Levels for Hydrogen Using Perturbation Theory

Solving the Schrodinger Equation for the Hydrogen Atom
Density Plot for Angular
Component of Solution
Solutions to the Schrodinger Equation for a Hydrogen Atom

Ѱ300 Ѱ320 Ѱ521

 Solutions to the Schrodinger Equation and spdf Orbitals

The directional spdf orbitals are

directional projections of the
solutions to the Schrodinger
equation!
Time Evolution of a Hydrogen Atom Time evolution of superposition
of Ѱ100 and Ѱ210

Time
Energy Levels Given by the Schrodinger Equation

Calculated allowed energies explain the known

Paschen, Balmer, and Lyman series in Chemistry
and the Hydrogen emission spectrum.
Finding the Most Probable Radius for the Ground State

Defines the Bohr Radius!

 Probability of Finding an Electron in a Given State
Probability of being in a state given
by Boltzmann Distribution:

Distribution normalized according to

allowed energies via partition
function:
Solving the Dirac Equation for Hydrogen-like Atoms
Solutions to the Dirac Equation for a Hydrogen-like Atom

Ѱ2,-1,½ Ѱ3,-3,½ Ѱ5,-4,½

Energy Levels Given by the Dirac Equation

Taylor expansion of the dirac energy shows an

important higher level term.
Perturbation Theory to Get First Order Correction Terms
Perturbation Theory to Solve for Relativistic Correction Term
Summary of Energy Levels of the Hydrogen Atom
Avenues left to explore