The conformal property may be described in terms of the Jacobian derivative matrix of a coordinate transformation.
2.
In mathematics, a function of "'bounded deformation "'is a function whose distributional derivatives are not quite well-behaved-enough to qualify as functions of bounded variation, although the symmetric part of the derivative matrix does meet that condition.
3.
As described above, some method such as quantum mechanics can be used to calculate the energy,, the gradient of the PES, that is, the derivative of the energy with respect to the position of the atoms, and the second derivative matrix of the system,, also known as the Hessian matrix, which describes the curvature of the PES at.
4.
Geometry optimization is then a mathematical optimization problem, in which it is desired to find the value of for which is at a local minimum, that is, the derivative of the energy with respect to the position of the atoms,, is the zero vector and the second derivative matrix of the system,, also known as the Hessian matrix, which describes the curvature of the PES at, has all positive Eigen values ( is positive definite ).
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