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- methcalchim
- ====== Calculation methods applied to chemistry ====== ===== Synopsis (english) ===== ==== Mathematical prerequisites==== ==== Programming bases and too... rnpython.org/|LearnPython.org]] interactive tutorial with code execution * [[https://www.datacamp.... //www.sololearn.com/Course/Python/|Python 3 Tutorial]], interactive, with [[https://code.sololearn.com
- eigenvalues_and_eigenvectors
- ====== Eigenvalues and eigenvectors ====== * [[wp>Eigenvalues_and_eigenvectors|Eigenvalues and eigenvectors]] * Important matrix properties * Hermitian, orthogonality,... * [[wp>Eigenvalue_algorithm|Eigenvalue a
- partial_differential_equation
- ====== Numerical solutions of PDE ====== <note warning>In general, the numerical solutions of partial differential equations are obtained by standard methods developped and implement
- numerical_methods_for_ordinary_differential_equations
- ====== Integration of Ordinary Differential Equations ====== * [[wp>Ordinary_differential_equation|Ordinary Differential Equations]] (ODE, ODEs) * [[wp>Numerical_methods_for_ordinary_differential_equations|Numerical meth
- system_of_linear_equations
- ystem of linear equations ====== <note tip>Numerical methods used to solve such problem allow to introduce and experiment on [[wp>Time_complexity]], considering cubic time behavior of standard algorithms and //i.e.// quadratic time solutions usi... ion]], Gauss and Gauss-Jordan eliminations (diagonalization, triangularization) * [[wp>Pivot_element
- numerical_integration
- ====== Numerical integration ====== <note tip> Calculation of definite integrals implies to replace the function by another one (usually a polynomial form) which is a good approximatio
- root-finding_algorithm
- findings : equations f(x) = 0 ====== <note tip> Algorithm used to find roots of an equation use iterations, and a numerical criterion to accept a solution when a sufficiently accurate value is reached. The rate of convergence depends on ... vative of the function f(x). </note> * Polynomial equations : [[wp>Bairstow's_method|Bairstow's met