Difference between revisions of "Main Page"
Jump to navigation
Jump to search
(Create main page) |
Tag: Manual revert |
||
(8 intermediate revisions by 3 users not shown) | |||
Line 1: | Line 1: | ||
__NOTOC__ | __NOTOC__ | ||
= Welcome to {{SITENAME}}! = | |||
This | 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]] | |||
== 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.