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Welcome to LibGtoint Wiki!

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

• LibGtoint