|
Slater's Rules
In quantum chemistry, Slater's rules provide numerical values for the effective nuclear charge in a many-electron atom. Each electron is said to experience less than the actual nuclear charge, because of shielding or screening by the other electrons. For each electron in an atom, Slater's rules provide a value for the screening constant, denoted by ''s'', ''S'', or ''σ'', which relates the effective and actual nuclear charges as :Z_= Z - s.\, The rules were devised semi-empirically by John C. Slater and published in 1930. Revised values of screening constants based on computations of atomic structure by the Hartree–Fock method were obtained by Enrico Clementi et al. in the 1960s. Rules Firstly, the electrons are arranged into a sequence of groups in order of increasing principal quantum number n, and for equal n in order of increasing azimuthal quantum number l, except that s- and p- orbitals are kept together. : s s,2p s,3p d s,4p d f s, 5p detc. Each group is given a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum 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 Molecule, molecules, Material, 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 function, wave functions as well as to observable properties such as structures, spectra, and Thermodynamics, thermodynamic properties. Quantum chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics. Chemists rely heavily on spectroscopy through which information regarding the Quantization (physics), quantization of energy on a molecular scale can be obtained ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Azimuthal Quantum Number
In quantum mechanics, the azimuthal quantum number is a quantum number for an atomic orbital that determines its angular momentum operator, orbital angular momentum and describes aspects of the angular shape of the orbital. The azimuthal quantum number is the second of a set of quantum numbers that describe the unique quantum state of an electron (the others being the principal quantum number , the magnetic quantum number , and the spin quantum number ). For a given value of the principal quantum number (''electron shell''), the possible values of are the integers from 0 to . For instance, the shell has only orbitals with \ell=0, and the shell has only orbitals with \ell=0, and \ell=1. For a given value of the azimuthal quantum number , the possible values of the magnetic quantum number are the integers from to , including 0. In addition, the spin quantum number can take two distinct values. The set of orbitals associated with a particular value of are som ... [...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] |
K-edge
In X-ray absorption spectroscopy, the K-edge is a sudden increase in x-ray absorption occurring when the energy of the X-rays is just above the binding energy of the innermost electron shell of the atoms interacting with the photons. The term is based on X-ray notation, where the innermost electron shell is known as the K-shell. Physically, this sudden increase in attenuation is caused by the photoelectric absorption of the photons. For this interaction to occur, the photons must have more energy than the binding energy of the K-shell electrons (K-edge). A photon having an energy just above the binding energy of the electron is therefore more likely to be absorbed than a photon having an energy just below this binding energy or significantly above it. The energies near the K-edge are also objects of study, and provide other information. Use The two radiocontrast agents iodine and barium have ideal K-shell binding energies for absorption of X-rays: 33.2 keV and 37.4 keV r ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Rydberg Constant
In spectroscopy, the Rydberg constant, symbol R_\infty for heavy atoms or R_\text for hydrogen, named after the Swedish physicist Johannes Rydberg, is a physical constant relating to the electromagnetic spectra of an atom. The constant first arose as an empirical fitting parameter in the Rydberg formula for the hydrogen spectral series, but Niels Bohr later showed that its value could be calculated from more fundamental constants according to his model of the atom. Before the 2019 revision of the SI, R_\infty and the electron spin ''g''-factor were the most accurately measured physical constants. The constant is expressed for either hydrogen as R_\text, or at the limit of infinite nuclear mass as R_\infty. In either case, the constant is used to express the limiting value of the highest wavenumber (inverse wavelength) of any photon that can be emitted from a hydrogen atom, or, alternatively, the wavenumber of the lowest-energy photon capable of ionizing a hydrogen at ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Clarence Zener
Clarence Melvin Zener ( ; December 1, 1905 – July 2, 1993) was an American physicist who in 1934 was the first to describe the property concerning the breakdown of electrical insulators. These findings were later exploited by Bell Labs in the development of the Zener diode, which was duly named after him. Zener was also a theoretical physicist with a background in mathematics who conducted research in a wide range of subjects including: superconductivity, metallurgy, ferromagnetism, elasticity (physics), elasticity, fracture mechanics, diffusion, and geometric programming. Life Zener was born in Indianapolis, Indiana, the son of German-descent Clarence and Ida Zener, and brother of Katharine Zener (later Katharine Hurmiston) and psychologist Karl Zener, and earned his PhD in physics under Edwin C. Kemble at the Harvard Kenneth C. Griffin Graduate School of Arts and Sciences, Harvard Graduate School of Arts and Sciences in 1929. His thesis was titled ''Quantum Mechanics of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hydrogen-like Atom
A hydrogen-like atom (or hydrogenic atom) is any atom or ion with a single valence electron. These atoms are isoelectronic with hydrogen. Examples of hydrogen-like atoms include, but are not limited to, hydrogen itself, all alkali metals such as Rb and Cs, singly ionized alkaline earth metals such as Ca+ and Sr+ and other ions such as He+, Li2+, and Be3+ and isotopes of any of the above. A hydrogen-like atom includes a positively charged core consisting of the atomic nucleus and any core electrons as well as a single valence electron. Because helium is common in the universe, the spectroscopy of singly ionized helium is important in EUV astronomy, for example, of DO white dwarf stars. The non-relativistic Schrödinger equation and relativistic Dirac equation for the hydrogen atom can be solved analytically, owing to the simplicity of the two-particle physical system. The one-electron wave function solutions are referred to as ''hydrogen-like atomic orbitals''. Hydrogen-li ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atomic Orbital
In quantum mechanics, an atomic orbital () is a Function (mathematics), function describing the location and Matter wave, wave-like behavior of an electron in an atom. This function describes an electron's Charge density, charge distribution around the Atomic nucleus, atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the nucleus. Each orbital in an atom is characterized by a set of values of three quantum numbers , , and , which respectively correspond to electron's energy, its angular momentum, orbital angular momentum, and its orbital angular momentum projected along a chosen axis (magnetic quantum number). The orbitals with a well-defined magnetic quantum number are generally complex-valued. Real-valued orbitals can be formed as linear combinations of and orbitals, and are often labeled using associated Spherical harmonics#Harmonic polynomial representation, harmonic polynomials (e.g., ''xy'', ) which describe ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Iron
Iron is a chemical element; it has symbol Fe () and atomic number 26. It is a metal that belongs to the first transition series and group 8 of the periodic table. It is, by mass, the most common element on Earth, forming much of Earth's outer and inner core. It is the fourth most abundant element in the Earth's crust, being mainly deposited by meteorites in its metallic state. Extracting usable metal from iron ores requires kilns or furnaces capable of reaching , about 500 °C (900 °F) higher than that required to smelt copper. Humans started to master that process in Eurasia during the 2nd millennium BC and the use of iron tools and weapons began to displace copper alloys – in some regions, only around 1200 BC. That event is considered the transition from the Bronze Age to the Iron Age. In the modern world, iron alloys, such as steel, stainless steel, cast iron and special steels, are by far the most common industrial metals, due to their mechan ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Principal Quantum Number
In quantum mechanics, the principal quantum number (''n'') of an electron in an atom indicates which electron shell or energy level it is in. Its values are natural numbers (1, 2, 3, ...). Hydrogen and Helium, at their lowest energies, have just one electron shell. Lithium through Neon (see periodic table) have two shells: two electrons in the first shell, and up to 8 in the second shell. Larger atoms have more shells. The principal quantum number is one of four quantum numbers assigned to each electron in an atom to describe the quantum state of the electron. The other quantum numbers for bound electrons are the total angular momentum of the orbit ''ℓ'', the angular momentum in the z direction ''ℓz'', and the spin of the electron ''s''. Overview and history As ''n'' increases, the electron is also at a higher energy and is, therefore, less tightly bound to the nucleus. For higher ''n'', the electron is farther from the nucleus, on average. For each value of ''n'', th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Effective Nuclear Charge
In atomic physics, the effective nuclear charge of an electron in a multi-electron atom or ion is the number of elementary charges (e) an electron experiences by the nucleus. It is denoted by ''Z''eff. The term "effective" is used because the shielding effect of negatively charged electrons prevent higher energy electrons from experiencing the full nuclear charge of the nucleus due to the repelling effect of inner layer. The effective nuclear charge experienced by an electron is also called the core charge. It is possible to determine the strength of the nuclear charge by the oxidation number of the atom. Most of the physical and chemical properties of the elements can be explained on the basis of electronic configuration. Consider the behavior of ionization energies in the periodic table. It is known that the magnitude of ionization potential depends upon the following factors: # The size of an atom # The nuclear charge; oxidation number # The screening effect of the inner she ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Enrico Clementi
Enrico Clementi (November 19, 1931 in Cembra, Italy - March 30, 2021) was an Italian chemist, a pioneer in computational techniques for quantum chemistry and molecular dynamics. Dr. Clementi received his Ph.D. in Chemistry from University of Pavia, where he was a student in the Collegio Cairoli, in 1954 and joined IBM Research in 1961. At IBM he was first responsible for atomic calculations, then manager of a scientific computation department until 1974. As an IBM Fellow (elected 1969), he led research and development in parallel computer architecture and fundamental research in chemistry, biophysics and fluid dynamics. In 1991 he retired from IBM to join Université Louis Pasteur in Strasbourg, France as Professor of Chemistry from 1992 until 2000. Dr Clementi's work has been recognized by awards and honours: IBM Fellow (1969), Fellow of the American Physical Society (1984), President of the International Society of Quantum Biology, Alexander von Humboldt award (2001), Member o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
