MP2 Energy Object Complete Example

• O(N8) computation of MP2 energy

• Uses MPQC Hartree-Fock and integrals object

• Compiles and links in with MPQC runtime adding a new method that can be specified in the input file.

• Located in the doc/devsamp subdirectory:

  • mp2.cc (223 lines)
  • mp2.in (30 lines)
  • Makefile (12 lines)

Notes: