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  2. Method of steepest descent - Wikipedia

    en.wikipedia.org/wiki/Method_of_steepest_descent

    In mathematics, the method of steepest descent or saddle-point method is an extension of Laplace's method for approximating an integral, where one deforms a contour integral in the complex plane to pass near a stationary point (saddle point), in roughly the direction of steepest descent or stationary phase. The saddle-point approximation is ...

  3. Stationary phase approximation - Wikipedia

    en.wikipedia.org/wiki/Stationary_phase_approximation

    In mathematics, the stationary phase approximation is a basic principle of asymptotic analysis, applying to functions given by integration against a rapidly-varying complex exponential. This method originates from the 19th century, and is due to George Gabriel Stokes and Lord Kelvin . [ 1 ]

  4. Energy minimization - Wikipedia

    en.wikipedia.org/wiki/Energy_minimization

    The string method [16] [17] [18] uses splines connecting the points, r i, to measure and enforce distance constraints between the points and to calculate the tangent at each point. In each step of an optimization procedure, the points might be moved according to the force acting on them perpendicular to the path, and then, if the equidistance ...

  5. Energy profile (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Energy_profile_(chemistry)

    A point may be local minimum when it is lower in energy compared to its surrounding only or a global minimum which is the lowest energy point on the entire potential energy surface. Saddle point represents a maximum along only one direction (that of the reaction coordinate) and is a minimum along all other directions. In other words, a saddle ...

  6. Potential energy surface - Wikipedia

    en.wikipedia.org/wiki/Potential_energy_surface

    The 2-D plot shows the minima points where we find reactants, the products and the saddle point or transition state. The transition state is a maximum in the reaction coordinate and a minimum in the coordinate perpendicular to the reaction path. The advance of time describes a trajectory in every reaction. Depending on the conditions of the ...

  7. Stationary point - Wikipedia

    en.wikipedia.org/wiki/Stationary_point

    The stationary points are the red circles. In this graph, they are all relative maxima or relative minima. The blue squares are inflection points.. In mathematics, particularly in calculus, a stationary point of a differentiable function of one variable is a point on the graph of the function where the function's derivative is zero.

  8. Saddle point - Wikipedia

    en.wikipedia.org/wiki/Saddle_point

    A saddle point (in red) on the graph of z = x 2 − y 2 (hyperbolic paraboloid) In mathematics, a saddle point or minimax point [1] is a point on the surface of the graph of a function where the slopes (derivatives) in orthogonal directions are all zero (a critical point), but which is not a local extremum of the function. [2]

  9. Newton's method in optimization - Wikipedia

    en.wikipedia.org/wiki/Newton's_method_in...

    It may not converge at all, but can enter a cycle having more than 1 point. See the Newton's method § Failure analysis. It can converge to a saddle point instead of to a local minimum, see the section "Geometric interpretation" in this article. The popular modifications of Newton's method, such as quasi-Newton methods or Levenberg-Marquardt ...