Improvements on non-equilibrium and transport Green function techniques: the next-generation Transiesta (Q1687073): Difference between revisions

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+Many-body current formula and current conservation for non-equilibrium fully interacting nanojunctions
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+Electronic Structure
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+Double exponential formulas for numerical integration
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+Multifrontal parallel distributed symmetric and unsymmetric solvers
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+A Fully Asynchronous Multifrontal Solver Using Distributed Dynamic Scheduling
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+Block tridiagonal matrix inversion and fast transmission calculations
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+Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems
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+Computing entries of the inverse of a sparse matrix using the FIND algorithm
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+A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations
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+PSelInv—A Distributed Memory Parallel Algorithm for Selected Inversion
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+A nested dissection approach to modeling transport in nanodevices: Algorithms and applications
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+Recursive Green's function method for multi-terminal nanostructures
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+LAPACK Users' Guide
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+An Algorithm for Reducing the Bandwidth and Profile of a Sparse Matrix
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+Variational Principles for Scattering Processes. I
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+The General Utility Lattice Program (<scp>GULP</scp>)
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+An updated version of wannier90: a tool for obtaining maximally-localised Wannier functions
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