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Atomic physics is the field of physics that studies atoms as an isolated system of electrons and an atomic nucleus. Atomic physics typically refers to the study of atomic structure and the interaction between atoms. It is primarily concerned with the way in which electrons are arranged around the nucleus and the processes by which these arrangements change. This comprises ions, neutral atoms and, unless otherwise stated, it can be assumed that the term atom includes ions.
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules, groups of molecules, and solids. The importance of this subject stems from the fact that, with the exception of some relatively recent findings related to the hydrogen molecular ion, achieving an accurate quantum mechanical depiction of chemical systems analytically, or in a closed form, is not feasible. The complexity inherent in the many-body problem exacerbates the challenge of providing detailed descriptions of quantum mechanical systems. While computational results normally complement information obtained by chemical experiments, it can occasionally predict unobserved chemical phenomena.
The following outline is provided as an overview of and topical guide to chemistry:
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. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties. Quantum chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics.
Spectroscopy is the field of study that measures and interprets electromagnetic spectra. In narrower contexts, spectroscopy is the precise study of color as generalized from visible light to all bands of the electromagnetic spectrum.
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation.
Atomic, molecular, and optical physics (AMO) is the study of matter–matter and light–matter interactions, at the scale of one or a few atoms and energy scales around several electron volts. The three areas are closely interrelated. AMO theory includes classical, semi-classical and quantum treatments. Typically, the theory and applications of emission, absorption, scattering of electromagnetic radiation (light) from excited atoms and molecules, analysis of spectroscopy, generation of lasers and masers, and the optical properties of matter in general, fall into these categories.
Ionization is the process by which an atom or a molecule acquires a negative or positive charge by gaining or losing electrons, often in conjunction with other chemical changes. The resulting electrically charged atom or molecule is called an ion. Ionization can result from the loss of an electron after collisions with subatomic particles, collisions with other atoms, molecules and ions, or through the interaction with electromagnetic radiation. Heterolytic bond cleavage and heterolytic substitution reactions can result in the formation of ion pairs. Ionization can occur through radioactive decay by the internal conversion process, in which an excited nucleus transfers its energy to one of the inner-shell electrons causing it to be ejected.
In physics, an open quantum system is a quantum-mechanical system that interacts with an external quantum system, which is known as the environment or a bath. In general, these interactions significantly change the dynamics of the system and result in quantum dissipation, such that the information contained in the system is lost to its environment. Because no quantum system is completely isolated from its surroundings, it is important to develop a theoretical framework for treating these interactions in order to obtain an accurate understanding of quantum systems.
Dynamic nuclear polarization (DNP) results from transferring spin polarization from electrons to nuclei, thereby aligning the nuclear spins to the extent that electron spins are aligned. Note that the alignment of electron spins at a given magnetic field and temperature is described by the Boltzmann distribution under the thermal equilibrium. It is also possible that those electrons are aligned to a higher degree of order by other preparations of electron spin order such as: chemical reactions, optical pumping and spin injection. DNP is considered one of several techniques for hyperpolarization. DNP can also be induced using unpaired electrons produced by radiation damage in solids.
Electronic correlation is the interaction between electrons in the electronic structure of a quantum system. The correlation energy is a measure of how much the movement of one electron is influenced by the presence of all other electrons.
In physics, a Feshbach resonance can occur upon collision of two slow atoms, when they temporarily stick together forming an unstable compound with short lifetime. It is a feature of many-body systems in which a bound state is achieved if the coupling(s) between at least one internal degree of freedom and the reaction coordinates, which lead to dissociation, vanish. The opposite situation, when a bound state is not formed, is a shape resonance. It is named after Herman Feshbach, a physicist at MIT.
A shape resonance is a metastable state in which an electron is trapped due to the shape of a potential barrier. Altunata describes a state as being a shape resonance if, "the internal state of the system remains unchanged upon disintegration of the quasi-bound level." A more general discussion of resonances and their taxonomies in molecular system can be found in the review article by Schulz,; for the discovery of the Fano resonance line-shape and for the Majorana pioneering work in this field by Antonio Bianconi; and for a mathematical review by Combes et al.
Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics or the computational chemistry software package used to implement this method.
In condensed-matter physics, a collision cascade is a set of nearby adjacent energetic collisions of atoms induced by an energetic particle in a solid or liquid.
In materials science, the threshold displacement energy is the minimum kinetic energy that an atom in a solid needs to be permanently displaced from its site in the lattice to a defect position. It is also known as "displacement threshold energy" or just "displacement energy". In a crystal, a separate threshold displacement energy exists for each crystallographic direction. Then one should distinguish between the minimum and average over all lattice directions' threshold displacement energies. In amorphous solids, it may be possible to define an effective displacement energy to describe some other average quantity of interest. Threshold displacement energies in typical solids are of the order of 10-50 eV.
Quantemol Ltd is based in University College London initiated by Professor Jonathan Tennyson FRS and Dr. Daniel Brown in 2004. The company initially developed a unique software tool, Quantemol-N, which provides full accessibility to the highly sophisticated UK molecular R-matrix codes, used to model electron polyatomic molecule interactions. Since then Quantemol has widened to further types of simulation, with plasmas and industrial plasma tools, in Quantemol-VT in 2013 and launched in 2016 a sustainable database Quantemol-DB, representing the chemical and radiative transport properties of a wide range of plasmas.
The following outline is provided as an overview of and topical guide to biophysics:
The I. I. Rabi Prize in Atomic, Molecular, and Optical Physics is given by the American Physical Society to recognize outstanding work by mid-career researchers in the field of atomic, molecular, and optical physics. The award was endowed in 1989 in honor of the physicist I. I. Rabi and has been awarded biannually since 1991.
Attosecond chronoscopy are measurement techniques for attosecond-scale delays of atomic and molecular single photon processes like photoemission and photoionization. Ionization-delay measurements in atomic targets provide a wealth of information about the timing of the photoelectric effect, resonances, electron correlations and transport.
References
- ↑ Lu, K. T. (1971-08-01). "Spectroscopy and Collision Theory. The Xe Absorption Spectrum". Physical Review A. 4 (2): 579–596. Bibcode:1971PhRvA...4..579L. doi:10.1103/physreva.4.579. ISSN 0556-2791.
- ↑ Seaton, M J (1983-02-01). "Quantum defect theory". Reports on Progress in Physics. 46 (2): 167–257. doi:10.1088/0034-4885/46/2/002. ISSN 0034-4885. S2CID 250797547.
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