Solves molecular MP2 equations. More...
#include <madness/mra/mra.h>#include <madness/mra/lbdeux.h>#include <chem/SCF.h>#include <examples/nonlinsol.h>#include <chem/projector.h>#include <chem/correlationfactor.h>#include <chem/nemo.h>#include <iostream>
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Classes | |
| struct | madness::LBCost |
| class | madness::HartreeFock< T, NDIM > |
| class | madness::ElectronPair |
| enhanced POD for the pair functions More... | |
| class | madness::MP2 |
| a class for computing the first order wave function and MP2 pair energies More... | |
Namespaces | |
| madness | |
| Holds machinery to set up Functions/FuncImpls using various Factories and Interfaces. | |
Detailed Description
Solves molecular MP2 equations.
