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...

plane-wave pseudopotential method BerkeleyGW - plane-wave pseudopotential method CP2K - Gaussian-based low-scaling all-electron and pseudopotential method...

William C. Topp and Hopfield introduced the concept of norm-conserving pseudopotentials in 1973. In 1974 he introduced a mechanism for error correction in...

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...

(fictitious) dynamical variables. The software is a parallelized plane wave / pseudopotential implementation of density functional theory, particularly designed...

is based on density-functional theory, plane wave basis sets, and pseudopotentials (both norm-conserving and ultrasoft). ESPRESSO is an acronym for opEn-Source...

system of identical bosons using the Hartree–Fock approximation and the pseudopotential interaction model. A Bose–Einstein condensate (BEC) is a gas of bosons...

S2CID 32913032. Yambo - plane-wave pseudopotential BerkeleyGW – plane-wave pseudopotential ExC - plane-wave pseudopotential Fiesta - Gaussian all-electron...

ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set...

of quantum dots often involve the interaction of electrons with a pseudopotential or random matrix. Semiclassical models of quantum dots frequently incorporate...

Troullier, N.; Wu, K.; Saad, Y. (1994). "Higher-order finite-difference pseudopotential method: An application to diatomic molecules". Physical Review B. 50...

of the Wannier functions are most easily calculated by the use of pseudopotential methods. NFE, TB or combined NFE-TB band structure calculations, sometimes...

initio electronic structure calculations. It is a generalization of the pseudopotential and linear augmented-plane-wave methods, and allows for density functional...

1002/qua.963. Runeberg, Nino; Pyykkö, Pekka (1998). "Relativistic pseudopotential calculations on Xe2, RnXe, and Rn2: The van der Waals properties of...

London Alma mater University of Cambridge (BA, PhD) Known for Haldane pseudopotentials in the fractional quantum Hall effect Quantum anomalous Hall effect...

the neutron wavelength. The delta function forms part of the Fermi pseudopotential, by which the free neutron and the nuclei interact. The Fourier transform...

prediction of their properties, and especially for the empirical pseudopotential method." University of California, Berkeley Lawrence Berkeley National...

theory which includes but is not limited to stability diagrams, the pseudopotential model, and more recently digital quadrupole acceptance. In parallel...

interact primarily with the nucleus itself, as described by Fermi's pseudopotential. Neutron scattering and absorption cross sections vary widely from...

standard basis sets or the pseudo-atomic orbitals from plane-wave pseudopotentials. By minimizing the total energy of the system, an appropriate set of...

structure of a large variety of materials, often in combination with pseudopotential models. The screening effect leads to the independent electron approximation...

Izquierdo, J.; Vega, A.; Balbás, L. C. (2001-04-03). "All-electron and pseudopotential study of the spin-polarization of the V(001) surface: LDA versus GGA"...

metallurgy at Los Alamos and the institute made early advances in pseudopotential theory and study of the Fermi surface. The Institute was an early pioneer...

linearized augmented-plane-wave method (FLAPW). It does not rely on the pseudopotential approximation and employs a systematically extendable basis set. These...

molecules using density functional theory (DFT). The acronym stands for Pseudopotential Algorithm for Real-Space Electronic Calculations. It solves the Kohn–Sham...

potential Uehling potential Woods–Saxon potential Quantum potential Pseudopotential Superpotential Kolos–Wolniewicz potential List of quantum-mechanical...

interpolation approximation. PARATEC NEXAFS calculation using plane-wave pseudopotential approach WIEN2k NEXAFS calculation on the basis of full-potential (linearized)...

Kuchle, W.; Stoll, H.; Preuss, H.; Schwerdtfeger, P. (1991). "Ab Initio Pseudopotentials for Hg to Rn: II. Molecular Calculations on the Hydrides of Hg to At...

indexed by Microsoft Academic Pendry, John (1969). The application of pseudopotentials to low energy electron diffraction (PhD thesis). University of Cambridge...