\texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations (Q536939): Difference between revisions

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+ScaLAPACK Users' Guide
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+Orbital-dependent density functionals: Theory and applications
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+Time-Dependent Density Functional Theory
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+Electronic Structure
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+Electronic Structure Calculations for Solids and Molecules
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+Q4544242
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+Q4154030
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+New Method for Calculating Wave Functions in Crystals and Molecules
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+General Theory of Pseudopotentials
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+Parallel implementation of the projector augmented plane wave method for charged systems
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+NWChem: Exploiting parallelism in molecular simulations
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+Publication:536939