|
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 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. Common metho ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Azimuthal Quantum Number
The azimuthal quantum number is a quantum number for an atomic orbital that determines its orbital angular momentum and describes the 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). It is also known as the orbital angular momentum quantum number, orbital quantum number or second quantum number, and is symbolized as ℓ (pronounced ''ell''). Derivation Connected with the energy states of the atom's electrons are four quantum numbers: ''n'', ''ℓ'', ''m''''ℓ'', and ''m''''s''. These specify the complete, unique quantum state of a single electron in an atom, and make up its wavefunction or ''orbital''. When solving to obtain the wave function, the Schrödinger equation reduces to three equations that lead to the first three quantum numbers. Therefore, the equations for t ... [...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 wider c ... [...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 ... [...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 via his Bohr model. Before the redefinition of the SI base units in , 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 an atom, or, alternatively, the wavenumber of the lowest-energy photon capable of ionizing an atom from its ground state. T ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Clarence Zener
Clarence Melvin Zener (December 1, 1905 – July 2, 1993) was the American physicist who first (1934) described 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 a theoretical physicist with a background in mathematics who conducted research in a wide range of subjects including: superconductivity, metallurgy, ferromagnetism, elasticity, fracture mechanics, diffusion, and geometric programming. Life Zener was born in Indianapolis, Indiana and earned his PhD in physics under Edwin Kemble at Harvard in 1929. His thesis was titled ''Quantum Mechanics of the Formation of Certain Types of Diatomic Molecules''. In 1957 he received the Bingham Medal for his work in rheology, in 1959 the John Price Wetherill Medal from The Franklin Institute, in 1965 the Albert Souveur Achievement Award, in 1974 the Gold Medal from American Society for Metals ... [...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 atomic theory and quantum mechanics, an atomic orbital is a function describing the location and wave-like behavior of an electron in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term ''atomic orbital'' may also refer to the physical region or space where the electron can be calculated to be present, as predicted by the particular mathematical form of the orbital. Each orbital in an atom is characterized by a set of values of the three quantum numbers , , and , which respectively correspond to the electron's energy, angular momentum, and an angular momentum vector component (magnetic quantum number). Alternative to the magnetic quantum number, the orbitals are often labeled by the associated harmonic polynomials (e.g., ''xy'', ). Each such orbital can be occupied by a maximum of two electrons, each with its own projection of spin m_s. The simple names s orbital, p orb ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Iron
Iron () is a chemical element with symbol Fe (from la, ferrum) 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, right in front of oxygen (32.1% and 30.1%, respectively), forming much of Earth's outer and inner core. It is the fourth most common element in the Earth's crust. In its metallic state, iron is rare in the Earth's crust, limited mainly to deposition by meteorites. Iron ores, by contrast, are among the most abundant in the Earth's crust, although extracting usable metal from them requires kilns or furnaces capable of reaching or higher, about higher than that required to smelt copper. Humans started to master that process in Eurasia during the 2nd millennium BCE and the use of iron tools and weapons began to displace copper alloys, in some regions, only around 1200 BCE. That event is considered the transition from the Bronze Age to the Iron A ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Principal Quantum Number
In quantum mechanics, the principal quantum number (symbolized ''n'') is one of four quantum numbers assigned to each electron in an atom to describe that electron's state. Its values are natural numbers (from 1) making it a discrete variable. Apart from the principal quantum number, the other quantum numbers for bound electrons are the azimuthal quantum number ''ℓ'', the magnetic quantum number ''ml'', and the spin quantum number ''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'' there are ''n'' accepted ''ℓ'' (azimuthal) values ranging from 0 to ''n'' − 1 inclusively, hence higher-''n'' electron states are more numerous. Accounting for two states of spin, each ''n''- shell can accommodate up to 2''n''2 electrons. In a simplistic one-electron model described bel ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Effective Nuclear Charge
In atomic physics, the effective nuclear charge is the actual amount of positive (nuclear) charge experienced by an electron in a multi-electron atom. 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: # Size of atom; # The nuclear charge; # The screening effect of the inner shells, and # The extent to which the outermost electron penetrates into the charge ... [...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 of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
