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Chemistry makes use of matrices in various ways, particularly since the use of quantum theory to discuss molecular bonding and spectroscopy. Examples are the overlap matrix and the Fock matrix used in solving the Roothaan equations to obtain the molecular orbitals of the Hartree–Fock method .
Matrix isolation is an experimental technique used in chemistry and physics. It generally involves a material being trapped within an unreactive matrix. A host matrix is a continuous solid phase in which guest particles (atoms, molecules, ions, etc.) are embedded. The guest is said to be isolated within the host matrix.
In chemistry, the Z-matrix is a way to represent a system built of atoms.A Z-matrix is also known as an internal coordinate representation.It provides a description of each atom in a molecule in terms of its atomic number, bond length, bond angle, and dihedral angle, the so-called internal coordinates, [1] [2] although it is not always the case that a Z-matrix will give information regarding ...
A matrix (plural matrices, or less commonly matrixes) is a rectangular array of numbers called entries. Matrices have a long history of both study and application, leading to diverse ways of classifying matrices. A first group is matrices satisfying concrete conditions of the entries, including constant matrices.
The absolute value of the Jacobian determinant at p gives us the factor by which the function f expands or shrinks volumes near p; this is why it occurs in the general substitution rule. The Jacobian determinant is used when making a change of variables when evaluating a multiple integral of a function over a region within its domain. To ...
The defining property for the gamma matrices to generate a Clifford algebra is the anticommutation relation {,} = + = ,where the curly brackets {,} represent the anticommutator, is the Minkowski metric with signature (+ − − −), and is the 4 × 4 identity matrix.
Density matrices make it much easier to describe the process and calculate its consequences. Quantum decoherence explains why a system interacting with an environment transitions from being a pure state, exhibiting superpositions, to a mixed state, an incoherent combination of classical alternatives.
In mathematics, a symmetric matrix with real entries is positive-definite if the real number is positive for every nonzero real column vector, where is the row vector transpose of . [1] More generally, a Hermitian matrix (that is, a complex matrix equal to its conjugate transpose) is positive-definite if the real number is positive for every nonzero complex column vector , where denotes the ...