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Atomic units

physical science Maturity 11-13 Next article →

Atomic units are a system of natural units used in atomic physics and related fields. These include computational chemistry and atomic spectroscopy. Scientists use these units to make calculations more convenient and accurate. In the standard International System of Units (SI), many fundamental constants are complex numbers. These constants can sometimes be unstable or difficult to measure with perfect accuracy. This makes it hard to compare scientific results from different years. By using atomic units, researchers can report values that remain stable even if fundamental constants are revised.

The mechanism of atomic units relies on a mathematical transformation. In this system, certain fundamental constants are set to a value of 1. This process often makes quantities dimensionless. A dimensionless quantity is a pure number without a physical unit attached to it. For example, the Hamiltonian operator in the Schrödinger equation for a helium atom is very complex in SI units. However, when adopting atomic unit conventions, it becomes much simpler. This transformation eliminates many universal constants from equations. It reduces the order of magnitude for most numbers involved. This makes the math easier to handle during numerical solutions.

There are several different ways to define these base units. One common proposal uses four specific constants as the foundation. These are the electron rest mass, the elementary charge, and the Planck constant. Some versions also include permittivity as a defining base unit. Within the dimensionless convention, each of these four constants takes the value of 1. From these base units, other important measurements are defined. The unit of length is known as the Bohr radius. The unit of energy is known as a Hartree.

The history of this system involves several important scientists. The physicist Douglas Hartree originally suggested and named these units. He based his units on three physical constants. In 1957, researchers Bethe and Salpeter built upon his work. They published a book titled "Quantum mechanics of one-and two-electron atoms." They used the abbreviation "a.u." for atomic units. They chose to use the Planck constant as their base unit of action. Later, in 1959, Shull and Hall advocated for a similar model. They explicitly named the distance unit the "Bohr radius." They also named the energy unit the "Hartree."

In 1973, McWeeny extended the system used by Shull and Hall. He added permittivity to the list of base units. He also adopted the SI definition of permittivity. This allowed the expression for energy in atomic units to match modern standards. Today, these terms are used widely in the field of quantum chemistry. The system provides a way to express many different physical quantities. These include electric charge density, electric current, and electric potential. It also covers magnetic dipole moments and electric fields.

The significance of atomic units is clearest when looking at the Bohr model of a hydrogen atom. In this model, the properties of a bound electron in its ground state become very simple. The mass of the electron is exactly 1 a.u. of mass. The charge is -1 a.u. of charge. The orbital radius is 1 a.u. of length. The orbital velocity is 1 a.u. of velocity. Even the orbital period is expressed as 2π a.u. of time. This alignment makes the fundamental properties of the atom easy to see.

Atomic units connect deeply to the study of fundamental physical constants. Some constants, like the fine-structure constant, retain their values in any unit system. In atomic units, the speed of light can be expressed as a specific value. Other values include the classical electron radius and the reduced Compton wavelength. By using this system, scientists can focus on the core interactions of atoms. They do not have to worry about the specific numbers of the SI system. The units are built into the very physics of the atoms themselves.

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