deletions | additions       diff --git a/paragraph_textit_Ab_initio_Calcuation__.tex b/paragraph_textit_Ab_initio_Calcuation__.tex  index 746cb31..acc97d8 100644  --- a/paragraph_textit_Ab_initio_Calcuation__.tex  +++ b/paragraph_textit_Ab_initio_Calcuation__.tex 
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JANPA \cite{Nikolaienko_2014} computes natural atomic orbitals from a reduced one-particle density matrix.  Massively Parallel Quantum Chemistry program (MPQC) MPQC (massively parallel quantum chemistry program)  \cite{Janssen95} can compute offers many features including closed shell, unrestricted and general restricted open shell  Hartree-Fock energies and gradients, closed shell, unrestricted and general restricted open shell  density functional theory energies and gradients, and second-order second order open shell  perturbation theoryenergies  and gradients. Z-averaged perturbation theory energies. 
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GaussSum \cite{O_boyle_2008} uses cclib to extract useful information from the results of quantum chemistry programs including monitoring the progress of geometry optimization, the UV/IR/Raman spectra, molecular orbital (MO) levels and MO contributions.  Geac (Gaussian ESI Automated Creator) extracts data from gaussian Gaussian  log files. Nancy\_EX \cite{Etienne_2014} post-processes Gaussian output and analyzes excited states including natural transition orbitals, detachment and attachment density matrices, and charge-transfer descriptors.  \paragraph{Visualization}