- In physics, a
pseudopotential or
effective potential is used as an
approximation for the
simplified description of
complex systems.
Applications include...
- with the
valence electrons. The use of an
effective interaction, a
pseudopotential, that
approximates the
potential felt by the
valence electrons, was...
- S2CID 32913032.
Yambo - plane-wave
pseudopotential BerkeleyGW – plane-wave
pseudopotential ExC - plane-wave
pseudopotential Fiesta -
Gaussian all-electron...
-
Sheng Louie.
ABINIT - plane-wave
pseudopotential method ADF -
Slater basis set
method BerkeleyGW - plane-wave
pseudopotential method CP2K - Gaussian-based...
-
these are the cc-pV(N+d)Z
basis sets. Even
larger atoms may
employ pseudopotential basis sets, cc-pVNZ-PP, or relativistic-contracted Douglas-Kroll basis...
-
based on
density functional theory (DFT),
plane wave
basis sets, and
pseudopotentials (both norm-conserving and ultrasoft). The core
plane wave DFT functions...
-
initio electronic structure calculations. It is a
generalization of the
pseudopotential and
linear augmented-plane-wave methods, and
allows for
density functional...
- ab
initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the
projector augmented wave method, and a
plane wave
basis set...
-
molecules using density functional theory (DFT). The
acronym stands for
Pseudopotential Algorithm for Real-Space
Electronic Calculations. It
solves the Kohn–Sham...
- of the
Wannier functions are most
easily calculated by the use of
pseudopotential methods. NFE, TB or
combined NFE-TB band
structure calculations, sometimes...
