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__NOTOC__ | |||
= Welcome to {{SITENAME}}! = | |||
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. | |||
= Contents = | |||
== Basics == | |||
* [[Gaussian type orbital]] | |||
* [[Effective core potential]] | |||
* [[List of integrals]] | |||
== | == Integral schemes == | ||
* [ | * [[Obara–Saika scheme]] | ||
* [ | * [[ECP integral]] | ||
* [ | ** [[ECP type 2 radial quadrature]] | ||
* [ | |||
* [https:// | == Related mathematics == | ||
* [[Spherical harmonics]] | |||
* [[Boys function]] | |||
* [[Bessel 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.