Definition of Pseudopotentials. Meaning of Pseudopotentials. Synonyms of Pseudopotentials

- ultrasoft pseudopotentials and libraries of generated pseudopotentials. GBRV pseudopotential site : This site hosts the GBRV pseudopotential library PseudoDojo :...
- based on density functional theory (DFT), plane wave basis sets, and pseudopotentials (both norm-conserving and ultrasoft). The core plane wave DFT functions...
- ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set...
- time-dependent density functional theory (TDDFT) calculations. Octopus employs pseudopotentials and real-space numerical grids to propagate the Kohn‍–‍Sham orbitals...
- with the valence electrons. The use of an effective interaction, a pseudopotential, that approximates the potential felt by the valence electrons, was...
- number of plane-waves. When this property is combined with separable pseudopotentials of the Kleinman-Bylander type and pre-conditioned conjugate gradient...
- Fourier transforms, and pseudopotentials to describe core electrons. As an alternative to standard norm-conserving pseudopotentials, the projector augmented-wave...
- indexed by Microsoft Academic Pendry, John (1969). The application of pseudopotentials to low energy electron diffraction (PhD thesis). University of Cambridge...
- solids) to be calculated within density functional theory (DFT), using pseudopotentials, and a wavelet basis. BigDFT implements density functional theory (DFT)...
- William C. Topp and Hopfield introduced the concept of norm-conserving pseudopotentials in 1973. In 1974 he introduced a mechanism for error correction in...