blob: 36bf0b397b6f839919735be24bd64256ec6b1015 (
plain) (
tree)
|
|
MPQC is the Massively Parallel Quantum Chemistry Program.
It computes properties of atoms and molecules from first principles
using the time independent Schrödinger equation. Methods supported
are: HF, MP2 AND DFT for energies and gradients, OPT2 and ZAPT2
for energies.
|