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Hartree
The hartree (symbol: ''E''h), also known as the Hartree energy, is the measurement unit, unit of energy in the atomic units system, named after the British physicist Douglas Hartree. Its CODATA recommended value is = The hartree is approximately the negative electric potential energy of the electron in a hydrogen atom in its ground state and, by the virial theorem, approximately twice its ionization energy; the relationships are not exact because of the finite mass of the Atomic nucleus, nucleus of the hydrogen atom and Quantum electrodynamics, relativistic corrections. The hartree is usually used as a unit of energy in atomic physics and computational chemistry: for experimental measurements at the atomic scale, the electronvolt (eV) or the reciprocal centimetre (cm−1) are much more widely used. Other relationships : E_\mathrm = = m_\mathrm\left(\frac\right)^2 = m_\mathrm c^2 \alpha^2 = :: = 2 Rydberg constant#Rydberg unit of energy, Ry = 2 Rydberg cons ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Douglas Hartree
Douglas Rayner Hartree (27 March 1897 – 12 February 1958) was an English mathematician and physicist most famous for the development of numerical analysis and its application to the Hartree–Fock equations of atomic physics and the construction of a differential analyser using Meccano. Early life and education Douglas Hartree was born in Cambridge, England. His father, William, was a lecturer in engineering at the University of Cambridge. His mother, Eva Rayner, was president of the National Council of Women of Great Britain and first woman to be mayor of the city of Cambridge. One of his great-grandfathers was Samuel Smiles; another was the marine engineer William Hartree, partner of John Penn. Douglas Hartree was the oldest of three sons who survived infancy. A brother and sister died in infancy when he was still a child, but his two brothers would later also die. Hartree's 7-year-old brother John Edwin died when Hartree was 17, and Hartree's 22-year-old broth ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
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 (dihydrogen cation), 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. Overview Computational chemistry differs from theoretical chemistry, which involves a mathematical description of chem ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atomic Units
The atomic units are a system of natural units of measurement that is especially convenient for calculations in atomic physics and related scientific fields, such as computational chemistry and atomic spectroscopy. They were originally suggested and named by the physicist Douglas Hartree. Atomic units are often abbreviated "a.u." or "au", not to be confused with similar abbreviations used for astronomical units, arbitrary units, and absorbance units in other contexts. Motivation In the context of atomic physics, using the atomic units system can be a convenient shortcut, eliminating symbols and numbers and reducing the order of magnitude of most numbers involved. For example, the Hamiltonian operator in the Schrödinger equation for the helium atom with standard quantities, such as when using SI units, is : \hat = - \frac \nabla_1^2 - \frac \nabla_2^2 - \frac - \frac + \frac , but adopting the convention associated with atomic units that transforms quantities into dimensionl ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Measurement Unit
A unit of measurement, or unit of measure, is a definite magnitude (mathematics), magnitude of a quantity, defined and adopted by convention or by law, that is used as a standard for measurement of the same kind of quantity. Any other quantity of that kind can be expressed as a multiple of the unit of measurement. For example, a length is a physical quantity. The metre (symbol m) is a unit of length that represents a definite predetermined length. For instance, when referencing "10 metres" (or 10 m), what is actually meant is 10 times the definite predetermined length called "metre". The definition, agreement, and practical use of units of measurement have played a crucial role in human endeavour from early ages up to the present. A multitude of System of measurement, systems of units used to be very common. Now there is a global standard, the International System of Units (SI), the modern form of the metric system. In trade, weights and measures are often a su ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ionization Energy
In physics and chemistry, ionization energy (IE) is the minimum energy required to remove the most loosely bound electron of an isolated gaseous atom, Ion, positive ion, or molecule. The first ionization energy is quantitatively expressed as :X(g) + energy ⟶ X+(g) + e− where X is any atom or molecule, X+ is the resultant ion when the original atom was stripped of a single electron, and e− is the removed electron. Ionization energy is positive for neutral atoms, meaning that the ionization is an endothermic process. Roughly speaking, the closer the outermost electrons are to the atomic nucleus, nucleus of the atom, the higher the atom's ionization energy. In physics, ionization energy (IE) is usually expressed in electronvolts (eV) or joules (J). In chemistry, it is expressed as the energy to ionize a Mole (unit), mole of atoms or molecules, usually as Joule per mole, kilojoules per mole (kJ/mol) or Kilocalorie per mole, kilocalories per mole (kcal/mol). Comparison of ion ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fine-structure Constant
In physics, the fine-structure constant, also known as the Sommerfeld constant, commonly denoted by (the Alpha, Greek letter ''alpha''), is a Dimensionless physical constant, fundamental physical constant that quantifies the strength of the electromagnetic interaction between elementary charged particles. It is a dimensionless quantity (dimensionless physical constant), independent of the system of units used, which is related to the strength of the coupling of an elementary charge ''e'' with the electromagnetic field, by the formula . Its numerical value is approximately , with a relative uncertainty of The constant was named by Arnold Sommerfeld, who introduced it in 1916 Equation 12a, ''"rund 7·" (about ...)'' when extending the Bohr model of the atom. quantified the gap in the fine structure of the spectral lines of the hydrogen atom, which had been measured precisely by Albert A. Michelson, Michelson and Edward W. Morley, Morley in 1887. Why the constant should have 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 w ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Units Of Energy
Energy is defined via work, so the SI unit of energy is the same as the unit of work – the joule (J), named in honour of James Prescott Joule and his experiments on the mechanical equivalent of heat. In slightly more fundamental terms, is equal to 1 newton metre and, in terms of SI base units :1\ \mathrm = 1\ \mathrm \left( \frac \right ) ^ 2 = 1\ \frac An energy unit that is used in atomic physics, particle physics, and high energy physics is the electronvolt (eV). One eV is equivalent to . In spectroscopy, the unit cm−1 ≈ is used to represent energy since energy is inversely proportional to wavelength from the equation E = h \nu = h c/\lambda . In discussions of energy production and consumption, the units barrel of oil equivalent and ton of oil equivalent are often used. British imperial / US customary units The British imperial units and U.S. customary units for both energy and work include the foot-pound force (1.3558 J), the British ... [...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] |
Millielectronvolt
In physics, an electronvolt (symbol eV), also written electron-volt and electron volt, is the measure of an amount of kinetic energy gained by a single electron accelerating through an electric potential difference of one volt in vacuum. When used as a unit of energy, the numerical value of 1 eV in joules (symbol J) is equal to the numerical value of the charge of an electron in coulombs (symbol C). Under the 2019 revision of the SI, this sets 1 eV equal to the exact value Historically, the electronvolt was devised as a standard unit of measure through its usefulness in electrostatic particle accelerator sciences, because a particle with electric charge ''q'' gains an energy after passing through a voltage of ''V''. Definition and use An electronvolt is the amount of energy gained or lost by a single electron when it moves through an electric potential difference of one volt. Hence, it has a value of one volt, which is , multiplied by the elementary charge Therefore, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
CODATA
The Committee on Data of the International Science Council (CODATA) was established in 1966 as the Committee on Data for Science and Technology, originally part of the International Council of Scientific Unions, now part of the International Science Council (ISC). Since November 2023 its president is the Catalan researcher Mercè Crosas. CODATA exists to promote global collaboration to advance open science and to improve the availability and usability of data for all areas of research. CODATA supports the principle that data produced by research and susceptible to being used for research should be as open as possible and as closed as necessary. CODATA works also to advance the interoperability and the usability of such data; research data should be FAIR (findable, accessible, interoperable and reusable). By promoting the policy, technological, and cultural changes that are essential to promote open science, CODATA helps advance ISC's vision and mission of advancing science as ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Speed Of Light
The speed of light in vacuum, commonly denoted , is a universal physical constant exactly equal to ). It is exact because, by international agreement, a metre is defined as the length of the path travelled by light in vacuum during a time interval of second. The speed of light is invariant (physics), the same for all observers, no matter their relative velocity. It is the upper limit for the speed at which Information#Physics_and_determinacy, information, matter, or energy can travel through Space#Relativity, space. All forms of electromagnetic radiation, including visible light, travel at the speed of light. For many practical purposes, light and other electromagnetic waves will appear to propagate instantaneously, but for long distances and sensitive measurements, their finite speed has noticeable effects. Much starlight viewed on Earth is from the distant past, allowing humans to study the history of the universe by viewing distant objects. When Data communication, comm ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
