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In quantum chemistry, the quantum theory of atoms in molecules (QTAIM), sometimes referred to as atoms in molecules (AIM), is a model of molecular and condensed matter electronic systems (such as crystals) in which the principal objects of molecular structure - atoms and bonds - are natural expressions of a system's observable electron density distribution function.
Quantum mechanics is a fundamental theory that describes the behavior of nature at and below the scale of atoms. [2]: 1.1 It is the foundation of all quantum physics, which includes quantum chemistry, quantum field theory, quantum technology, and quantum information science. Quantum mechanics can describe many systems that classical physics cannot.
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. [1]
Study key step in demonstrating that molecules can be viable platform for quantum science
Molecular physics is concerned with atomic processes in molecules, but it is additionally concerned with effects due to the molecular structure. Additionally to the electronic excitation states which are known from atoms, molecules are able to rotate and to vibrate. These rotations and vibrations are quantized; there are discrete energy levels.
Quantum mechanics is the study of matter and its interactions with energy on the scale of atomic and subatomic particles.By contrast, classical physics explains matter and energy only on a scale familiar to human experience, including the behavior of astronomical bodies such as the moon.
In addition to electronic quantum states, molecules have internal degrees of freedom corresponding to rotational and vibrational motion. At appreciable temperatures, many of these new motional modes are excited, resulting in constant motion as seen above. Molecular physics is the study of the physical properties of molecules and molecular dynamics.
The science of molecules is called molecular chemistry or molecular physics, depending on whether the focus is on chemistry or physics. Molecular chemistry deals with the laws governing the interaction between molecules that results in the formation and breakage of chemical bonds, while molecular physics deals with the laws governing their ...