Chemistry

Quantum Chemistry - Introduction and Methods

Quantum Chemistry - Introduction and Methods


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Quantum Chemistry: Introduction

Quantum chemistry makes it possible to apply the laws of quantum mechanics to molecular systems.

The year 1927 can be seen as the hour of birth of quantum chemistry. This year, the work of Heitler and London appeared on the chemical bond in the hydrogen molecule, which is based on the wave mechanics (a representation of quantum mechanics) developed by Schrödinger the year before.

E. Schrödinger received the Nobel Prize in Physics together with P. Dirac in 1933.

Due to the increasing computer performance and the model developments of the last decades, quantum chemical calculations on a high theoretical level for molecules with several heavy atoms are already possible with a PC.