Definition of BigDFT. Meaning of BigDFT. Synonyms of BigDFT

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Definition of BigDFT

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Meaning of BigDFT from wikipedia

- density functional theory (DFT), using pseudopotentials, and a wavelet basis. BigDFT implements density functional theory (DFT) by solving the Kohn–Sham...
- Retrieved 2017-01-27. "Acceleration example on different platforms - BigDFT wiki". bigdft.org. Archived from the original on 2017-02-02. Retrieved 2017-01-27...
- In mathematics, the discrete Fourier transform (DFT) converts a finite sequence of equally-spaced samples of a function into a same-length sequence of...
- Density functional theory (DFT) is a com****tional quantum mechanical modelling method used in physics, chemistry and materials science to investigate...
- Free software ABINIT ACES (CFOUR) AIMAll BigDFT COLUMBUS CONQUEST CP2K Dalton DIRAC DP code FLEUR FreeON MADNESS MOPAC MPQC NWChem Octopus OpenMolcas P****C...
- post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs...
- Liquid GPU AutoDock – Molecular docking BigDFT Ab initio program based on wavelet BrianQC Quantum chemistry (HF and DFT) and molecular mechanics Blaze ligand-based...
- transform (FFT) is an algorithm that computes the discrete Fourier transform (DFT) of a sequence, or its inverse (IDFT). A Fourier transform converts a signal...
- Hartree–Fock–Bogoliubov theory. MADNESS and BigDFT are the two most widely known codes that perform DFT and TDDFT using wavelets . Many-body wavefunctions...
- Free software ABINIT ACES (CFOUR) AIMAll BigDFT COLUMBUS CONQUEST CP2K Dalton DIRAC DP code FLEUR FreeON MADNESS MOPAC MPQC NWChem Octopus OpenMolcas P****C...