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Symmetry Of Diatomic Molecules
Molecular symmetry in physics and chemistry describes the symmetry present in molecules and the classification of molecules according to their symmetry. Molecular symmetry is a fundamental concept in the application of Quantum Mechanics in physics and chemistry, for example it can be used to predict or explain many of a molecule's properties, such as its dipole moment and its allowed spectroscopic transitions (based on selection rules), without doing the exact rigorous calculations (which, in some cases, may not even be possible). To do this it is necessary to classify the states of the molecule using the irreducible representations from the character table of the symmetry group of the molecule. Among all the molecular symmetries, diatomic molecules show some distinct features and they are relatively easier to analyze. Symmetry and group theory The physical laws governing a system is generally written as a relation (equations, differential equations, integral equations etc.). An ...
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Molecular Symmetry
Molecular symmetry in chemistry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explain many of a molecule's chemical properties, such as whether or not it has a dipole moment, as well as its allowed spectroscopic transitions. To do this it is necessary to use group theory. This involves classifying the states of the molecule using the irreducible representations from the character table of the symmetry group of the molecule. Symmetry is useful in the study of molecular orbitals, with applications to the Hückel method, to ligand field theory, and to the Woodward-Hoffmann rules. Many university level textbooks on physical chemistry, quantum chemistry, spectroscopy and inorganic chemistry discuss symmetry. Another framework on a larger scale is the use of crystal systems to describe crystallographic symmetry in bulk ...
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Hermitian Operator
In mathematics, a self-adjoint operator on an infinite-dimensional complex vector space ''V'' with inner product \langle\cdot,\cdot\rangle (equivalently, a Hermitian operator in the finite-dimensional case) is a linear map ''A'' (from ''V'' to itself) that is its own adjoint. If ''V'' is finite-dimensional with a given orthonormal basis, this is equivalent to the condition that the matrix of ''A'' is a Hermitian matrix, i.e., equal to its conjugate transpose ''A''. By the finite-dimensional spectral theorem, ''V'' has an orthonormal basis such that the matrix of ''A'' relative to this basis is a diagonal matrix with entries in the real numbers. In this article, we consider generalizations of this concept to operators on Hilbert spaces of arbitrary dimension. Self-adjoint operators are used in functional analysis and quantum mechanics. In quantum mechanics their importance lies in the Dirac–von Neumann formulation of quantum mechanics, in which physical observables such as po ...
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Space Group
In mathematics, physics and chemistry, a space group is the symmetry group of an object in space, usually in three dimensions. The elements of a space group (its symmetry operations) are the rigid transformations of an object that leave it unchanged. In three dimensions, space groups are classified into 219 distinct types, or 230 types if chiral copies are considered distinct. Space groups are discrete cocompact groups of isometries of an oriented Euclidean space in any number of dimensions. In dimensions other than 3, they are sometimes called Bieberbach groups. In crystallography, space groups are also called the crystallographic or Fedorov groups, and represent a description of the symmetry of the crystal. A definitive source regarding 3-dimensional space groups is the ''International Tables for Crystallography'' . History Space groups in 2 dimensions are the 17 wallpaper groups which have been known for several centuries, though the proof that the list was compl ...
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Crystallography
Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. Crystallography is a fundamental subject in the fields of materials science and solid-state physics (condensed matter physics). The word "crystallography" is derived from the Greek word κρύσταλλος (''krystallos'') "clear ice, rock-crystal", with its meaning extending to all solids with some degree of transparency, and γράφειν (''graphein'') "to write". In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming that 2014 would be the International Year of Crystallography. denote a direction vector (in real space). * Coordinates in ''angle brackets'' or ''chevrons'' such as <100> denote a ''family'' of directions which are related by symmetry operations. In the cubic crystal system for example, would mean 00 10 01/nowiki> or the negative of any of those directions. * Miller indices in ''parentheses ...
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Improper Rotation
In geometry, an improper rotation,. also called rotation-reflection, rotoreflection, rotary reflection,. or rotoinversion is an isometry in Euclidean space that is a combination of a rotation about an axis and a reflection in a plane perpendicular to that axis. Reflection and inversion are each special case of improper rotation. Any improper rotation is an affine transformation and, in cases that keep the coordinate origin fixed, a linear transformation.. It is used as a symmetry operation in the context of geometric symmetry, molecular symmetry and crystallography, where an object that is unchanged by a combination of rotation and reflection is said to have ''improper rotation symmetry''. Three dimensions In 3 dimensions, improper rotation is equivalently defined as a combination of rotation about an axis and inversion in a point on the axis. For this reason it is also called a rotoinversion or rotary inversion. The two definitions are equivalent because rotation by an ...
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Point Group
In geometry, a point group is a mathematical group of symmetry operations ( isometries in a Euclidean space) that have a fixed point in common. The coordinate origin of the Euclidean space is conventionally taken to be a fixed point, and every point group in dimension ''d'' is then a subgroup of the orthogonal group O(''d''). Point groups are used to describe the symmetries of geometric figures and physical objects such as molecules. Each point group can be represented as sets of orthogonal matrices ''M'' that transform point ''x'' into point ''y'' according to Each element of a point group is either a rotation (determinant of ''M'' = 1), or it is a reflection or improper rotation (determinant of ''M'' = −1). The geometric symmetries of crystals are described by space groups, which allow translations and contain point groups as subgroups. Discrete point groups in more than one dimension come in infinite families, but from the crystallographic restriction theore ...
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Axial Symmetry
Axial symmetry is symmetry around an axis; an object is axially symmetric if its appearance is unchanged if rotated around an axis."Axial symmetry"
glossary of meteorology. Retrieved 2010-04-08. For example, a without trademark or other design, or a plain white tea saucer, looks the same if it is rotated by any angle about the line passing lengthwise through its center, so it is axially symmetric. Axial symmetry can also be
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Translational Invariance
In geometry, to translate a geometric figure is to move it from one place to another without rotating it. A translation "slides" a thing by . In physics and mathematics, continuous translational symmetry is the invariance of a system of equations under any translation. Discrete translational symmetry is invariant under discrete translation. Analogously an operator on functions is said to be translationally invariant with respect to a translation operator T_\delta if the result after applying doesn't change if the argument function is translated. More precisely it must hold that \forall \delta \ A f = A (T_\delta f). Laws of physics are translationally invariant under a spatial translation if they do not distinguish different points in space. According to Noether's theorem, space translational symmetry of a physical system is equivalent to the momentum conservation law. Translational symmetry of an object means that a particular translation does not change the object. F ...
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Rotational Symmetry
Rotational symmetry, also known as radial symmetry in geometry, is the property a shape has when it looks the same after some rotation by a partial turn. An object's degree of rotational symmetry is the number of distinct orientations in which it looks exactly the same for each rotation. Certain geometric objects are partially symmetrical when rotated at certain angles such as squares rotated 90°, however the only geometric objects that are fully rotationally symmetric at any angle are spheres, circles and other spheroids. Formal treatment Formally the rotational symmetry is symmetry with respect to some or all rotations in ''m''-dimensional Euclidean space. Rotations are direct isometries, i.e., isometries preserving orientation. Therefore, a symmetry group of rotational symmetry is a subgroup of ''E''+(''m'') (see Euclidean group). Symmetry with respect to all rotations about all points implies translational symmetry with respect to all translations, so space is ...
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Degeneracy (quantum Mechanics)
In quantum mechanics, an energy level is degenerate if it corresponds to two or more different measurable states of a quantum system. Conversely, two or more different states of a quantum mechanical system are said to be degenerate if they give the same value of energy upon measurement. The number of different states corresponding to a particular energy level is known as the degree of degeneracy of the level. It is represented mathematically by the Hamiltonian for the system having more than one linearly independent eigenstate with the same energy eigenvalue. When this is the case, energy alone is not enough to characterize what state the system is in, and other quantum numbers are needed to characterize the exact state when distinction is desired. In classical mechanics, this can be understood in terms of different possible trajectories corresponding to the same energy. Degeneracy plays a fundamental role in quantum statistical mechanics. For an -particle system in three dimens ...
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Commutator
In mathematics, the commutator gives an indication of the extent to which a certain binary operation fails to be commutative. There are different definitions used in group theory and ring theory. Group theory The commutator of two elements, and , of a group , is the element : . This element is equal to the group's identity if and only if and commute (from the definition , being equal to the identity if and only if ). The set of all commutators of a group is not in general closed under the group operation, but the subgroup of ''G'' generated by all commutators is closed and is called the ''derived group'' or the '' commutator subgroup'' of ''G''. Commutators are used to define nilpotent and solvable groups and the largest abelian quotient group. The definition of the commutator above is used throughout this article, but many other group theorists define the commutator as :. Identities (group theory) Commutator identities are an important tool in group theory. The ...
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Unitary Operator
In functional analysis, a unitary operator is a surjective bounded operator on a Hilbert space that preserves the inner product. Unitary operators are usually taken as operating ''on'' a Hilbert space, but the same notion serves to define the concept of isomorphism ''between'' Hilbert spaces. A unitary element is a generalization of a unitary operator. In a unital algebra, an element of the algebra is called a unitary element if , where is the identity element. Definition Definition 1. A ''unitary operator'' is a bounded linear operator on a Hilbert space that satisfies , where is the adjoint of , and is the identity operator. The weaker condition defines an '' isometry''. The other condition, , defines a ''coisometry''. Thus a unitary operator is a bounded linear operator which is both an isometry and a coisometry, or, equivalently, a surjective isometry. An equivalent definition is the following: Definition 2. A ''unitary operator'' is a bounded linear operato ...
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