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Close Coupling
In atomic physics, close coupling is a quantum mechanics method to calculate the multi-electronic atomic and molecular structure from fine structure to hyperfine structure levels and dynamic processes including photoionization, collisional excitation and ionization as well as autoionization and their inverse processes. In this method, the multi-electron systems are treated as a loosely interacting electron with a target ionic or neutral atomic as well as molecular, in which the electrons are strongly interactive with each other. The interactive atomic or molecular complex system is reduced into a so-called (N+1) problem. Based on this scheme, the inter-channel interaction, that is, configuration interaction Configuration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system. Mathemati ...s (CI) are involved. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atomic Physics
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. The term ''atomic physics'' can be associated with nuclear power and nuclear weapons, due to the synonymous use of ''atomic'' and ''nuclear'' in standard English. Physicists distinguish between atomic physics—which deals with the atom as a system consisting of a nucleus and electrons—and nuclear physics, which studies nuclear reactions and special properties of atomic nuclei. As with many scientific fields, strict delineation can be highly contrived and atomic physics is often considered in the w ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Mechanics
Quantum mechanics is the fundamental physical Scientific theory, theory that describes the behavior of matter and of light; its unusual characteristics typically occur at and below the scale of atoms. Reprinted, Addison-Wesley, 1989, 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. Classical physics can describe many aspects of nature at an ordinary (macroscopic and Microscopic scale, (optical) microscopic) scale, but is not sufficient for describing them at very small submicroscopic (atomic and subatomic) scales. Classical mechanics can be derived from quantum mechanics as an approximation that is valid at ordinary scales. Quantum systems have Bound state, bound states that are Quantization (physics), quantized to Discrete mathematics, discrete values of energy, momentum, angular momentum, and ot ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atom
Atoms are the basic particles of the chemical elements. An atom consists of a atomic nucleus, nucleus of protons and generally neutrons, surrounded by an electromagnetically bound swarm of electrons. The chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper. Atoms with the same number of protons but a different number of neutrons are called isotopes of the same element. Atoms are extremely small, typically around 100 picometers across. A human hair is about a million carbon atoms wide. Atoms are smaller than the shortest wavelength of visible light, which means humans cannot see atoms with conventional microscopes. They are so small that accurately predicting their behavior using classical physics is not possible due to quantum mechanics, quantum effects. More than 99.94% of an atom's mass is in the nucleus. Protons hav ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Structure
Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths, bond angles, torsional angles and any other geometrical parameters that determine the position of each atom. Molecular geometry influences several properties of a substance including its reactivity, polarity, phase of matter, color, magnetism and biological activity. The angles between bonds that an atom forms depend only weakly on the rest of a molecule, i.e. they can be understood as approximately local and hence transferable properties. Determination The molecular geometry can be determined by various spectroscopic methods and diffraction methods. IR, microwave and Raman spectroscopy can give information about the molecule geometry from the details of the vibrational and rotational absorbance detected by these techniques. X-ray crystallography, neutron diffraction and electron diffraction can ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fine Structure
In atomic physics, the fine structure describes the splitting of the spectral lines of atoms due to electron spin and relativistic corrections to the non-relativistic Schrödinger equation. It was first measured precisely for the hydrogen atom by Albert A. Michelson and Edward W. Morley in 1887, laying the basis for the theoretical treatment by Arnold Sommerfeld, introducing the fine-structure constant. Background Gross structure The ''gross structure'' of line spectra is the structure predicted by the quantum mechanics of non-relativistic electrons with no spin. For a hydrogenic atom, the gross structure energy levels only depend on the principal quantum number ''n''. However, a more accurate model takes into account relativistic and spin effects, which break the degeneracy of the energy levels and split the spectral lines. The scale of the fine structure splitting relative to the gross structure energies is on the order of (''Zα'')2, where ''Z'' is the atomic number ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hyperfine Structure
In atomic physics, hyperfine structure is defined by small shifts in otherwise degenerate electronic energy levels and the resulting splittings in those electronic energy levels of atoms, molecules, and ions, due to electromagnetic multipole interaction between the nucleus and electron clouds. In atoms, hyperfine structure arises from the energy of the nuclear magnetic dipole moment interacting with the magnetic field generated by the electrons and the energy of the nuclear electric quadrupole moment in the electric field gradient due to the distribution of charge within the atom. Molecular hyperfine structure is generally dominated by these two effects, but also includes the energy associated with the interaction between the magnetic moments associated with different magnetic nuclei in a molecule, as well as between the nuclear magnetic moments and the magnetic field generated by the rotation of the molecule. Hyperfine structure contrasts with '' fine structure'', which resu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Photoionization
Photoionization is the physical process in which an ion is formed from the interaction of a photon with an atom or molecule. Cross section Not every interaction between a photon and an atom, or molecule, will result in photoionization. The probability of photoionization is related to the photoionization cross section of the species – the probability of an ionization event conceptualized as a hypothetical cross-sectional area. This cross section depends on the energy of the photon (proportional to its wavenumber) and the species being considered i.e. it depends on the structure of the molecular species. In the case of molecules, the photoionization cross-section can be estimated by examination of Franck-Condon factors between a ground-state molecule and the target ion. This can be initialized by computing the vibrations of a molecule and associated cation (post ionization) using quantum chemical software e.g. QChem. For photon energies below the ionization threshold, the photoi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Collisional Excitation
Collisional excitation is a process in which the kinetic energy of a collision partner is converted into the internal energy of a reactant species. Astronomy In astronomy, collisional excitation gives rise to spectral lines in the spectra of astronomical objects such as planetary nebulae and H II regions. In these objects, most atoms are ionised by photons from hot stars embedded within the nebular gas, stripping away electrons. The emitted electrons, (called photoelectrons), may collide with atoms or ions within the gas, and excite them. When these excited atoms or ions revert to their ground state, they will emit a photon. The spectral lines formed by these photons are called ''collisionally excited lines'' (often abbreviated to CELs). CELs are only seen in gases at very low densities (typically less than a few thousand particles per cm³) for forbidden transitions. For allowed transitions, the gas density can be substantially higher. At higher densities, the reverse proc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ionization
Ionization or ionisation is the process by which an atom or a molecule acquires a negative or positive Electric charge, 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, electrons, positrons, protons, antiprotons, 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. Uses Everyday examples of gas ionization occur within a fluorescent lamp or other electrical discharge lamps. It is also used in radiation detectors such as the Geiger- ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Autoionization
Autoionization is a process by which an atom or a molecule in an excited state spontaneously emits one of the outer-shell electrons, thus going from a state with charge to a state with charge , for example from an electrically neutral state to a singly ionized state. Autoionizing states are usually short- lived, and thus can be described as Fano resonances rather than normal bound states. They can be observed as variations in the ionization cross sections of atoms and molecules, by photoionization, electron ionization and other methods. Examples As examples, several Fano resonances in the extreme ultraviolet photoionization spectrum of neon are attributed to autoionizing states.Codling, K., Madden, R.P. and Ederer, D.L. (1967), ''Resonances in the Photoionization Continuum of Ne I (20-150 eV)'', Phys. Rev. ''155'', 26-37 DOI: https://doi.org/10.1103/PhysRev.155.26 Some are due to one-electron excitations, such as a series of three strong similarly shaped peaks at energie ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron
The electron (, or in nuclear reactions) is a subatomic particle with a negative one elementary charge, elementary electric charge. It is a fundamental particle that comprises the ordinary matter that makes up the universe, along with up quark, up and down quark, down quarks. Electrons are extremely lightweight particles that orbit the positively charged atomic nucleus, nucleus of atoms. Their negative charge is balanced by the positive charge of protons in the nucleus, giving atoms their overall electric charge#Charge neutrality, neutral charge. Ordinary matter is composed of atoms, each consisting of a positively charged nucleus surrounded by a number of orbiting electrons equal to the number of protons. The configuration and energy levels of these orbiting electrons determine the chemical properties of an atom. Electrons are bound to the nucleus to different degrees. The outermost or valence electron, valence electrons are the least tightly bound and are responsible for th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Strong Interaction
In nuclear physics and particle physics, the strong interaction, also called the strong force or strong nuclear force, is one of the four known fundamental interaction, fundamental interactions. It confines Quark, quarks into proton, protons, neutron, neutrons, and other hadron particles, and also binds neutrons and protons to create atomic nuclei, where it is called the nuclear force. Most of the mass–energy equivalence, mass of a proton or neutron is the result of the strong interaction energy; the individual quarks provide only about 1% of the mass of a proton. At the range of 10−15 m (1 femtometer, slightly more than the radius of a nucleon), the strong force is approximately 100 times as strong as electromagnetism, 106 times as strong as the weak interaction, and 1038 times as strong as Gravity, gravitation. In the context of atomic nuclei, the force binds protons and neutrons together to form a nucleus and is called the nuclear force (or ''residual strong force'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
