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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.
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.
Richard F. W. Bader FRSC FCIC (October 15, 1931 – January 15, 2012) was a Canadian quantum chemist, noted for his work on the Atoms in molecules theory. This theory attempts to establish a physical basis for many of the working concepts of chemistry, such as atoms in molecules and bonding, in terms of the topology of the electron density function in three-dimensional space. [1]
Quantum chemistry may be applied to the prediction and verification of spectroscopic data as well as other experimental data. Many quantum chemistry studies are focused on the electronic ground state and excited states of individual atoms and molecules as well as the study of reaction pathways and transition states that occur during chemical ...
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.
Variations of the double-slit experiment have been performed using electrons, atoms, and even large molecules, [33] [34] and the same type of interference pattern is seen. Thus it has been demonstrated that all matter possesses wave characteristics.
Study key step in demonstrating that molecules can be viable platform for quantum science Molecules ‘entangled’ in major physics breakthrough could advance quantum computing Skip to main content
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.