SMITH3-generated code

SMITH3 is an automatic code generator that writes tens of thousand lines of computer codes in a second. Fully internally contracted dynamic correlation methods, such as CASPT2, MRCI, and their relativistic analogues are implemented by SMITH3.

• Multireference second-order perturbation theory (CASPT2)
  • Description
  • Prerequisites
  • Keywords
  • Example
  • References
• Multireference configuration interaction (MRCI)
  • Description
  • Prerequisites
  • Keywords
  • Example
  • References
• Relativistic multireference second-order perturbation theory (RelCASPT2)
  • Description
  • Keywords
  • Example
  • References
• Relativistic Multireference configuration interaction (RelMRCI)
  • Description
  • Keywords
  • Example
  • References