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Diabatic Representation
The diabatic representation as a mathematical tool for theoretical calculations of atomic collisions and of molecular interactions. One of the guiding principles in modern chemical dynamics and spectroscopy is that the motion of the nuclei in a molecule is slow compared to that of its electrons. This is justified by the large disparity between the mass of an electron, and the typical mass of a nucleus and leads to the Born–Oppenheimer approximation and the idea that the structure and dynamics of a chemical species are largely determined by nuclear motion on potential energy surfaces. The potential energy surfaces are obtained within the adiabatic or Born–Oppenheimer approximation. This corresponds to a representation of the molecular wave function where the variables corresponding to the molecular geometry and the electronic degrees of freedom are separated. The non separable terms are due to the nuclear kinetic energy terms in the molecular Hamiltonian and are said to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Diabetes
Diabetes mellitus, commonly known as diabetes, is a group of common endocrine diseases characterized by sustained high blood sugar levels. Diabetes is due to either the pancreas not producing enough of the hormone insulin, or the cells of the body becoming unresponsive to insulin's effects. Classic symptoms include polydipsia (excessive thirst), polyuria (excessive urination), polyphagia (excessive hunger), weight loss, and blurred vision. If left untreated, the disease can lead to various health complications, including disorders of the cardiovascular system, eye, kidney, and nerves. Diabetes accounts for approximately 4.2 million deaths every year, with an estimated 1.5 million caused by either untreated or poorly treated diabetes. The major types of diabetes are type 1 and type 2. The most common treatment for type 1 is insulin replacement therapy (insulin injections), while anti-diabetic medications (such as metformin and semaglutide) and lifestyle modificatio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Unitary Transformation
In mathematics, a unitary transformation is a linear isomorphism that preserves the inner product: the inner product of two vectors before the transformation is equal to their inner product after the transformation. Formal definition More precisely, a unitary transformation is an isometric isomorphism between two inner product spaces (such as Hilbert spaces). In other words, a ''unitary transformation'' is a bijective function :U : H_1 \to H_2 between two inner product spaces, H_1 and H_2, such that :\langle Ux, Uy \rangle_ = \langle x, y \rangle_ \quad \text x, y \in H_1. It is a linear isometry, as one can see by setting x=y. Unitary operator In the case when H_1 and H_2 are the same space, a unitary transformation is an automorphism of that Hilbert space, and then it is also called a unitary operator. Antiunitary transformation A closely related notion is that of antiunitary transformation, which is a bijective function :U:H_1\to H_2\, between two complex Hilbert spaces ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Abelian Group
In mathematics, an abelian group, also called a commutative group, is a group in which the result of applying the group operation to two group elements does not depend on the order in which they are written. That is, the group operation is commutative. With addition as an operation, the integers and the real numbers form abelian groups, and the concept of an abelian group may be viewed as a generalization of these examples. Abelian groups are named after the Norwegian mathematician Niels Henrik Abel. The concept of an abelian group underlies many fundamental algebraic structures, such as fields, rings, vector spaces, and algebras. The theory of abelian groups is generally simpler than that of their non-abelian counterparts, and finite abelian groups are very well understood and fully classified. Definition An abelian group is a set A, together with an operation ･ , that combines any two elements a and b of A to form another element of A, denoted a \cdot b. The sym ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Non-abelian Group
In mathematics, and specifically in group theory, a non-abelian group, sometimes called a non-commutative group, is a group (''G'', ∗) in which there exists at least one pair of elements ''a'' and ''b'' of ''G'', such that ''a'' ∗ ''b'' ≠ ''b'' ∗ ''a''. This class of groups contrasts with the abelian groups, where all pairs of group elements commute. Non-abelian groups are pervasive in mathematics and physics. One of the simplest examples of a non-abelian group is the dihedral group of order 6. It is the smallest finite non-abelian group. A common example from physics is the rotation group SO(3) in three dimensions (for example, rotating something 90 degrees along one axis and then 90 degrees along a different axis is not the same as doing them in reverse order). Both discrete groups and continuous groups may be non-abelian. Most of the interesting Lie groups are non-abelian, and these play an important role in gauge theory. See also * ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Irrotational
In vector calculus, a conservative vector field is a vector field that is the gradient of some function. A conservative vector field has the property that its line integral is path independent; the choice of path between two points does not change the value of the line integral. Path independence of the line integral is equivalent to the vector field under the line integral being conservative. A conservative vector field is also irrotational; in three dimensions, this means that it has vanishing curl. An irrotational vector field is necessarily conservative provided that the domain is simply connected. Conservative vector fields appear naturally in mechanics: They are vector fields representing forces of physical systems in which energy is conserved. For a conservative system, the work done in moving along a path in a configuration space depends on only the endpoints of the path, so it is possible to define potential energy that is independent of the actual path taken. Inform ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
American Physical Society
The American Physical Society (APS) is a not-for-profit membership organization of professionals in physics and related disciplines, comprising nearly fifty divisions, sections, and other units. Its mission is the advancement and diffusion of knowledge of physics. It publishes more than a dozen scientific journals, including the prestigious '' Physical Review'' and ''Physical Review Letters'', and organizes more than twenty science meetings each year. It is a member society of the American Institute of Physics. Since January 2021, it is led by chief executive officer Jonathan Bagger. History The American Physical Society was founded on May 20, 1899, when thirty-six physicists gathered at Columbia University for that purpose. They proclaimed the mission of the new Society to be "to advance and diffuse the knowledge of physics", and in one way or another the APS has been at that task ever since. In the early years, virtually the sole activity of the APS was to hold scientific m ... [...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] |
Leibniz Rule (generalized Product Rule)
In calculus, the general Leibniz rule, named after Gottfried Wilhelm Leibniz, generalizes the product rule for the derivative of the product of two (which is also known as "Leibniz's rule"). It states that if f and g are -times differentiable functions, then the product fg is also -times differentiable and its -th derivative is given by (fg)^=\sum_^n f^ g^, where = is the binomial coefficient and f^ denotes the ''j''th derivative of ''f'' (and in particular f^= f). The rule can be proven by using the product rule and mathematical induction. Second derivative If, for example, , the rule gives an expression for the second derivative of a product of two functions: (fg)''(x)=\sum\limits_^=f''(x)g(x)+2f'(x)g'(x)+f(x)g''(x). More than two factors The formula can be generalized to the product of ''m'' differentiable functions ''f''1,...,''f''''m''. \left(f_1 f_2 \cdots f_m\right)^=\sum_ \prod_f_^\,, where the sum extends over all ''m''-tuples (''k''1,...,''k''''m'') of non-negative ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Schrödinger Equation
The Schrödinger equation is a partial differential equation that governs the wave function of a non-relativistic quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. It is named after Erwin Schrödinger, an Austrian physicist, who postulated the equation in 1925 and published it in 1926, forming the basis for the work that resulted in his Nobel Prize in Physics in 1933. Conceptually, the Schrödinger equation is the quantum counterpart of Newton's second law in classical mechanics. Given a set of known initial conditions, Newton's second law makes a mathematical prediction as to what path a given physical system will take over time. The Schrödinger equation gives the evolution over time of the wave function, the quantum-mechanical characterization of an isolated physical system. The equation was postulated by Schrödinger based on a postulate of Louis de Broglie that all matter has an associated matter wave. The equati ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecule
A molecule is a group of two or more atoms that are held together by Force, attractive forces known as chemical bonds; depending on context, the term may or may not include ions that satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and ''molecule'' is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.g. water (molecule), water (two hydrogen atoms and one oxygen atom; H2O). In the kinetic theory of gases, the term ''molecule'' is often used for any gaseous particle regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the noble gases are individual atoms. Atoms and complexes connected by non-covalent interactions, such as hydrogen bonds or ionic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Off-diagonal Element
In linear algebra, a diagonal matrix is a matrix in which the entries outside the main diagonal are all zero; the term usually refers to square matrices. Elements of the main diagonal can either be zero or nonzero. An example of a 2×2 diagonal matrix is \left begin 3 & 0 \\ 0 & 2 \end\right/math>, while an example of a 3×3 diagonal matrix is \left begin 6 & 0 & 0 \\ 0 & 5 & 0 \\ 0 & 0 & 4 \end\right/math>. An identity matrix of any size, or any multiple of it is a diagonal matrix called a ''scalar matrix'', for example, \left begin 0.5 & 0 \\ 0 & 0.5 \end\right/math>. In geometry, a diagonal matrix may be used as a '' scaling matrix'', since matrix multiplication with it results in changing scale (size) and possibly also shape; only a scalar matrix results in uniform change in scale. Definition As stated above, a diagonal matrix is a matrix in which all off-diagonal entries are zero. That is, the matrix with columns and rows is diagonal if \forall i,j \in \, i \ne j \im ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
