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Vibrational Partition Function
The vibrational partition functionDonald A. McQuarrie, ''Statistical Mechanics'', Harper & Row, 1973 traditionally refers to the component of the canonical partition function resulting from the vibrational degrees of freedom of a system. The vibrational partition function is only well-defined in model systems where the vibrational motion is relatively uncoupled with the system's other degrees of freedom. Definition For a system (such as a molecule or solid) with uncoupled vibrational modes the vibrational partition function is defined by Q_\text(T) = \prod_j where T is the absolute temperature of the system, k_B is the Boltzmann constant, and E_ is the energy of ''j''-th mode when it has vibrational quantum number n = 0, 1, 2, \ldots . For an isolated molecule of ''n'' atoms, the number of vibrational modes (i.e. values of ''j'') is 3''n'' − 5 for linear molecules and 3''n'' − 6 for non-linear ones.G. Herzberg, ''Infrared and Raman Spectra'', Van Nostrand Reinhold, 1945 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Canonical Partition Function
The adjective canonical is applied in many contexts to mean "according to the canon" the standard, rule or primary source that is accepted as authoritative for the body of knowledge or literature in that context. In mathematics, "canonical example" is often used to mean "archetype". Science and technology * Canonical form, a natural unique representation of an object, or a preferred notation for some object Mathematics * * Canonical coordinates, sets of coordinates that can be used to describe a physical system at any given point in time * Canonical map, a morphism that is uniquely defined by its main property * Canonical polyhedron, a polyhedron whose edges are all tangent to a common sphere, whose center is the average of its vertices * Canonical ring, a graded ring associated to an algebraic variety * Canonical injection, in set theory * Canonical representative, in set theory a standard member of each element of a set partition Differential geometry * Canonical one-form, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Thermodynamic Temperature
Thermodynamic temperature is a quantity defined in thermodynamics as distinct from kinetic theory or statistical mechanics. Historically, thermodynamic temperature was defined by Kelvin in terms of a macroscopic relation between thermodynamic work and heat transfer as defined in thermodynamics, but the kelvin was redefined by international agreement in 2019 in terms of phenomena that are now understood as manifestations of the kinetic energy of free motion of microscopic particles such as atoms, molecules, and electrons. From the thermodynamic viewpoint, for historical reasons, because of how it is defined and measured, this microscopic kinetic definition is regarded as an "empirical" temperature. It was adopted because in practice it can generally be measured more precisely than can Kelvin's thermodynamic temperature. A thermodynamic temperature reading of zero is of particular importance for the third law of thermodynamics. By convention, it is reported on the ''Kelvin scale'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Boltzmann Constant
The Boltzmann constant ( or ) is the proportionality factor that relates the average relative kinetic energy of particles in a gas with the thermodynamic temperature of the gas. It occurs in the definitions of the kelvin and the gas constant, and in Planck's law of black-body radiation and Boltzmann's entropy formula, and is used in calculating thermal noise in resistors. The Boltzmann constant has dimensions of energy divided by temperature, the same as entropy. It is named after the Austrian scientist Ludwig Boltzmann. As part of the 2019 redefinition of SI base units, the Boltzmann constant is one of the seven " defining constants" that have been given exact definitions. They are used in various combinations to define the seven SI base units. The Boltzmann constant is defined to be exactly . Roles of the Boltzmann constant Macroscopically, the ideal gas law states that, for an ideal gas, the product of pressure and volume is proportional to the product of amount of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Vibration
A molecular vibration is a periodic motion of the atoms of a molecule relative to each other, such that the center of mass of the molecule remains unchanged. The typical vibrational frequencies range from less than 1013 Hz to approximately 1014 Hz, corresponding to wavenumbers of approximately 300 to 3000 cm−1 and wavelengths of approximately 30 to 3 µm. For a diatomic molecule A−B, the vibrational frequency in s−1 is given by \nu = \frac \sqrt , where k is the force constant in dyne/cm or erg/cm2 and μ is the reduced mass given by \frac = \frac+\frac. The vibrational wavenumber in cm−1 is \tilde \;= \frac \sqrt, where c is the speed of light in cm/s. Vibrations of polyatomic molecules are described in terms of normal modes, which are independent of each other, but each normal mode involves simultaneous vibrations of different parts of the molecule. In general, a non-linear molecule with ''N'' atoms has 3''N'' – 6 normal modes of vibration, but a ''linear'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Phonon
In physics, a phonon is a collective excitation in a periodic, Elasticity (physics), elastic arrangement of atoms or molecules in condensed matter physics, condensed matter, specifically in solids and some liquids. A type of quasiparticle, a phonon is an excited state in the quantum mechanical Quantization (physics), quantization of the mode of vibration, modes of vibrations for elastic structures of interacting particles. Phonons can be thought of as quantized sound waves, similar to photons as quantized light waves. The study of phonons is an important part of condensed matter physics. They play a major role in many of the physical properties of condensed matter systems, such as thermal conductivity and electrical conductivity, as well as in models of neutron scattering and related effects. The concept of phonons was introduced in 1932 by Soviet Union, Soviet physicist Igor Tamm. The name ''phonon'' comes from the Ancient Greek language, Greek word (), which translates to ''so ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Normal Mode
A normal mode of a dynamical system is a pattern of motion in which all parts of the system move sinusoidally with the same frequency and with a fixed phase relation. The free motion described by the normal modes takes place at fixed frequencies. These fixed frequencies of the normal modes of a system are known as its natural frequency, natural frequencies or Resonance, resonant frequencies. A physical object, such as a building, bridge, or molecule, has a set of normal modes and their natural frequencies that depend on its structure, materials and boundary conditions. The most general motion of a system is a Superposition principle, superposition of its normal modes. The modes are normal in the sense that they can move independently, that is to say that an excitation of one mode will never cause motion of a different mode. In mathematical terms, normal modes are Orthogonality, orthogonal to each other. General definitions Mode In the Wave, wave theory of physics and ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Harmonic Oscillator
量子調和振動子 は、 古典調和振動子 の 量子力学 類似物です。任意の滑らかな ポテンシャル は通常、安定した 平衡点 の近くで 調和ポテンシャル として近似できるため、最も量子力学における重要なモデル系。さらに、これは正確な 解析解法が知られている数少ない量子力学系の1つである。 author=Griffiths, David J. , title=量子力学入門 , エディション=2nd , 出版社=プレンティス・ホール , 年=2004 , isbn=978-0-13-805326-0 , author-link=David Griffiths (物理学者) , URL アクセス = 登録 , url=https://archive.org/details/introductiontoel00grif_0 One-dimensional harmonic oscillator Hamiltonian and energy eigenstates 粒子の ハミルトニアン は次のとおりです。 \hat H = \frac + \frac k ^2 = \frac + \frac m \omega^2 ^2 \, , ここで、 は粒子の質量、 は力定数、\omega = \sqrt は 動子の [角周波数 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Planck Constant
The Planck constant, or Planck's constant, is a fundamental physical constant of foundational importance in quantum mechanics. The constant gives the relationship between the energy of a photon and its frequency, and by the mass-energy equivalence, the relationship between mass and frequency. Specifically, a photon's energy is equal to its frequency multiplied by the Planck constant. The constant is generally denoted by h. The reduced Planck constant, or Dirac constant, equal to the constant divided by 2 \pi, is denoted by \hbar. In metrology it is used, together with other constants, to define the kilogram, the SI unit of mass. The SI units are defined in such a way that, when the Planck constant is expressed in SI units, it has the exact value The constant was first postulated by Max Planck in 1900 as part of a solution to the ultraviolet catastrophe. At the end of the 19th century, accurate measurements of the spectrum of black body radiation existed, but the distribut ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wavenumber
In the physical sciences, the wavenumber (also wave number or repetency) is the ''spatial frequency'' of a wave, measured in cycles per unit distance (ordinary wavenumber) or radians per unit distance (angular wavenumber). It is analogous to temporal frequency, which is defined as the number of wave cycles per unit time (''ordinary frequency'') or radians per unit time (''angular frequency''). In multidimensional systems, the wavenumber is the magnitude of the ''wave vector''. The space of wave vectors is called ''reciprocal space''. Wave numbers and wave vectors play an essential role in optics and the physics of wave scattering, such as X-ray diffraction, neutron diffraction, electron diffraction, and elementary particle physics. For quantum mechanical waves, the wavenumber multiplied by the reduced Planck's constant is the ''canonical momentum''. Wavenumber can be used to specify quantities other than spatial frequency. For example, in optical spectroscopy, it is often used ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Speed Of Light
The speed of light in vacuum, commonly denoted , is a universal physical constant that is important in many areas of physics. The speed of light is exactly equal to ). According to the special theory of relativity, is the upper limit for the speed at which conventional matter or energy (and thus any signal carrying information) can travel through 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 very sensitive measurements, their finite speed has noticeable effects. Starlight viewed on Earth left the stars many years ago, allowing humans to study the history of the universe by viewing distant objects. When communicating with distant space probes, it can take minutes to hours for signals to travel from Earth to the spacecraft and vice versa. In computing, the speed of light fixes ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Partition Function (mathematics)
The partition function or configuration integral, as used in probability theory, information theory and dynamical systems, is a generalization of the definition of a partition function in statistical mechanics. It is a special case of a normalizing constant in probability theory, for the Boltzmann distribution. The partition function occurs in many problems of probability theory because, in situations where there is a natural symmetry, its associated probability measure, the Gibbs measure, has the Markov property. This means that the partition function occurs not only in physical systems with translation symmetry, but also in such varied settings as neural networks (the Hopfield network), and applications such as genomics, corpus linguistics and artificial intelligence, which employ Markov networks, and Markov logic networks. The Gibbs measure is also the unique measure that has the property of maximizing the entropy for a fixed expectation value of the energy; this underlies the ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
