Electronify for PC

Quantum mechanics is a fascinating field that helps us understand the behavior of matter and energy on a microscopic level. One of the most important concepts in quantum mechanics is the idea of atomic and molecular orbitals.

An atomic orbital is a mathematical function that describes the probability of finding an electron in a particular location around an atom's nucleus. Each electron in an atom can be described by a unique set of four quantum numbers, which determine its energy level, angular momentum, magnetic moment, and spin.

The shape of each atomic orbital can be accurately depicted using a formula called spherical harmonics, which creates a visual representation of the electron's probable location around the nucleus. These representations are often shown as a series of dots, each representing a probable location of where an electron might be.

Molecular orbitals, on the other hand, describe the probability of finding electrons in a molecule. Thanks to Density Functional Theory and the GPAW library, we can derive the electron density of a molecule without going through the complex steps of solving a N-dimensional Schrödinger's Equation. Electron density refers to the probability of finding an electron at any given point in space around a molecule.

Molecular orbitals are formed by the overlapping of atomic orbitals from different atoms in the molecule. This creates new orbitals with unique shapes and energy levels, which can determine the molecule's chemical properties.

Overall, understanding atomic and molecular orbitals is essential for understanding the behavior of matter and energy at the atomic level. While the math behind it can be complex, these visual representations help make these concepts more accessible and understandable to everyday people.