Difference between revisions of "Main Page"
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== Basics == | == Basics == | ||
* [[Gaussian type orbital]] | * [[Gaussian type orbital]] | ||
* [[Effective core potential]] | * [[Effective core potential]] | ||
* [[List of integrals]] | * [[List of integrals]] | ||
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== Integral schemes == | == Integral schemes == | ||
* [[Obara–Saika scheme]] | * [[Obara–Saika scheme]] | ||
* [[ECP integral]] | |||
** [[ECP type 2 radial quadrature]] | |||
== Related mathematics == | == Related mathematics == | ||
* [[Spherical | * [[Spherical harmonics]] | ||
* [[Boys function]] | * [[Boys function]] | ||
* [[Bessel function]] | * [[Bessel function]] | ||
* [[Hypergeometric function]] | * [[Hypergeometric function]] | ||
== Related software == | |||
* [https://github.com/arithy/libgtoint LibGtoint] | |||
Latest revision as of 19:36, 24 October 2021
Welcome to LibGtoint Wiki![edit | edit source]
This Wiki is a public place to share knowledge on computation of GTO (Gaussian type orbital) integrals. Please share your expertise for the quantum chemistry developer's community.