Pages that link to "Item:Q536916"
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The following pages link to Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations (Q536916):
Displaying 10 items.
- Efficient multi-scale computation of products of orbitals in electronic structure calculations (Q414079) (← links)
- Daubechies wavelets for high performance electronic structure calculations: the BigDFT project (Q553221) (← links)
- Very large electronic structure calculations using an out-of-core filter-diagonalization method (Q697775) (← links)
- Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB (Q1126933) (← links)
- DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744) (← links)
- From a week to less than a day: speedup and scaling of coordinate-scaled exact exchange calculations in plane waves (Q2698800) (← links)
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689) (← links)
- Efficient update of determinants for many-electron wave function overlaps (Q6040987) (← links)
- Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers (Q6041593) (← links)
- A parallel algorithm for computing partial spectral factorizations of matrix pencils via Chebyshev approximation (Q6491444) (← links)
