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sections
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- [Sample input files](Sample)
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# EXamples
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## [Sample input files](Sample.md)
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- [Examples of geometries using symmetry](Geometry-examples)
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## [Examples of geometries using symmetry](Geometry-examples.md)
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- [COSMO Solvation Model](COSMO-Solvation-Model)
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# Hybrid Approaches
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<!-- end list -->
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## [COSMO Solvation Model](COSMO-Solvation-Model.md)
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- [SMD Model](SMD-Model)
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## [SMD Model](SMD-Model.md)
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<!-- end list -->
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## [VEM Model](VEM-Model.md)
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- [VEM Model](VEM-Model)
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## [Hybrid Calculations with ONIOM](ONIOM.md)
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## [Combined quantum and molecular mechanics (QM/MM)](QMMM.md)
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- [Hybrid Calculations with ONIOM](ONIOM)
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## [External charges (Bq)](Bq.md)
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<!-- end list -->
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- [Combined quantum and molecular mechanics (QM/MM)](QMMM)
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<!-- end list -->
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- [External charges (Bq)](Bq)
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- [1D-RISM ](1D-RISM)
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## [1D-RISM ](1D-RISM.md)
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- [Electron Transfer Calculations](Electron-Transfer)
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- [Controlling NWChem with Python](Python)
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- [Quantum Computing](Quantum)
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- [VSCF](VSCF)
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- [Dynamical Nucleation Theory Monte Carlo](DNTMC)
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- [Correlation consistent Composite Approach (ccCA)](CCCA_method)
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- [Interfaces to Other Programs](Interface)
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# Other Capabilities
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## [Electron Transfer Calculations](Electron-Transfer.md)
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## [Controlling NWChem with Python](Python.md)
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## [Quantum Computing](Quantum.md)
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## [VSCF](VSCF.md)
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## [Dynamical Nucleation Theory Monte Carlo](DNTMC.md)
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## [Correlation consistent Composite Approach (ccCA)](CCCA_method.md)
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## [Interfaces to Other Programs](Interface.md)
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# Quantum Mechanical Methods
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## [Hartree-Fock (HF) Theory](Hartree-Fock-Theory-for-Molecules)
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## [Hartree-Fock (HF) Theory](Hartree-Fock-Theory-for-Molecules.md)
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<!-- end list -->
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## [Density Functional Theory (DFT)](Density-Functional-Theory-for-Molecules)
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## [Density Functional Theory (DFT)](Density-Functional-Theory-for-Molecules.md)
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<!-- end list -->
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## [Excited-State Calculations (CIS, TDHF, TDDFT)](Excited-State-Calculations)
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## [Excited-State Calculations (CIS, TDHF, TDDFT)](Excited-State-Calculations.md)
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<!-- end list -->
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## [Real-time TDDFT](RT-TDDFT)
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## [Real-time TDDFT](RT-TDDFT.md)
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<!-- end list -->
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## [Plane-Wave Density Functional Theory (plane-wave DFT)](Plane-Wave-Density-Functional-Theory)
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## [Plane-Wave Density Functional Theory (plane-wave DFT)](Plane-Wave-Density-Functional-Theory.md)
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<!-- end list -->
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## [Tensor Contraction Engine: CI, MBPT, and CC](TCE)
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## [Tensor Contraction Engine: CI, MBPT, and CC](TCE.md)
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<!-- end list -->
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## [MP2](MP2)
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## [MP2](MP2.md)
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<!-- end list -->
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## [Coupled Cluster Calculations](CCSD)
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## [Coupled Cluster Calculations](CCSD.md)
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<!-- end list -->
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## [Multiconfiguration SCF](Multiconfiguration_SCF)
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## [Multiconfiguration SCF](Multiconfiguration_SCF.md)
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<!-- end list -->
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## [GW calculations](GW)
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## [GW calculations](GW.md)
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<!-- end list -->
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# Quantum Molecular Dynamics
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## [Plane-Wave Basis](Plane-Wave-Density-Functional-Theory)
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## [Plane-Wave Basis](Plane-Wave-Density-Functional-Theory.md)
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## [Gaussian Basis AIMD](Gaussian-Basis-AIMD)
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## [Gaussian Basis AIMD](Gaussian-Basis-AIMD.md)
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- [Global Arrays](http://hpc.pnl.gov/globalarrays/)
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# Supplementary Information
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- [Choosing the right ARMCI library](ARMCI)
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## [Global Arrays](http://hpc.pnl.gov/globalarrays/)
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- [Software supporting NWChem](Software-supporting-NWChem)
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## [Choosing the right ARMCI library](ARMCI.md)
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## [Software supporting NWChem](Software-supporting-NWChem.md)
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