
EigenKernel
 Referenced in 3 articles
[sw29866]
 generalized eigenvalue solvers or largescale electronic state calculation to attain high scalability and usability...

MIKA
 Referenced in 6 articles
[sw08891]
 MIKA: Multigridbased program package for electronic structure calculations. A general realspace multigridbased ... equations appearing in the stateoftheart electronic structure calculations is described. The most ... multiple geometries. We show examples from electronic structure calculations employing nonlocal pseudopotentials and/or the jellium ... also applied for the calculation of positron states in solids. © 2002 Wiley Periodicals...

Sturmian
 Referenced in 14 articles
[sw07530]
 calculation of large numbers of excited states of fewelectron atoms and ions. Using...

Wannier90
 Referenced in 13 articles
[sw01010]
 calculation to obtain the Bloch states. Therefore, it may be interfaced straightforwardly to any electronic ... exploited to compute bandstructure, density of states and Fermi surfaces at modest computational cost ... analysis of chemical bonding in real space; calculation of dielectric properties via the modern theory...

mcci
 Referenced in 1 article
[sw12215]
 generation computer program for the calculation of electronic states of atoms, molecules, and quantum dots ... convergence on excited states is possible with the program. The program calculates energy matrix elements ... currently being investigated, and the electronic states for simplified models of quantum dots are also ... electronic applications. Treatment of spin states is exact within the program allowing for calculation...

QMCPACK
 Referenced in 7 articles
[sw12953]
 applications are electronic structure calculations of molecular, quasi2D and solidstate systems. Variational Monte...

PyBEST
 Referenced in 1 article
[sw35712]
 electronic structure calculations at the interface between chemistry and physics using unique electronic structure methods ... models for ground and excitedstates electronic structure calculations as well as the quantum entanglement...

PEKERIS
 Referenced in 3 articles
[sw11427]
 Leib Pekeris’ seminal calculations of the ground state energies of two electron atoms...

BADGER
 Referenced in 1 article
[sw35427]
 state library. The BADGER equation of state library was developed to enable inertial confinement fusion ... individual electron accounting model. Ion equation of state data can be calculated using an ideal ... scaled binding energies. Electron equation of state data can be calculated via the ideal...

BerkeleyGW
 Referenced in 8 articles
[sw17734]
 massively parallel computer package for the calculation of the quasiparticle and optical properties of materials ... massively parallel computational package for electron excitedstate properties that is based on the many...

Pescan
 Referenced in 1 article
[sw20134]
 used for nonselfconsistent calculations of electron and hole states of large (a few thousands ... spinorbit interactions are included. The code calculates the interior eigenstates of a nanosystem with...

Dirac++
 Referenced in 17 articles
[sw37208]
 implementation of the splitoperator method for calculating the timeevolution of Dirac wave functions ... allows to study the dynamics of electronic Dirac wave packets under the influence ... user. The latter option includes Dirac bound state wave functions. The code itself contains ... constructing such wave functions for a singleelectron ion. With the help of selfadaptive...

OptaDOS
 Referenced in 2 articles
[sw16785]
 obtaining density of states, corelevel and optical spectra from electronic structure codes. We present ... OptaDOS, a program for calculating coreelectron and lowloss electron energy loss spectra (EELS ... total, projected and jointdensity of electronic states (DOS) from singleparticle eigenenergies and dipole ... spectra can be aided by first principles calculations. The spectra are generated from the eigenenergies...

PCR
 Referenced in 1 article
[sw10797]
 designed to calculate the electron wave functions, transverse electron states in the planar continuum potential...

WHIZARD
 Referenced in 18 articles
[sw17837]
 well. The program is able to calculate numerically stable signal and background cross sections ... processes with up to eight finalstate particles; more particles are possible. For more particles ... both the initial and final states. Finalstate quark or lepton flavors can be summed ... CIRCE) and ISR spectra are included for electrons and photons. The events can be written...

PROFESS
 Referenced in 6 articles
[sw04202]
 program for orbitalfree density functional theory calculations Orbitalfree density functional theory (OFDFT ... groundstate energy of a system by variationally minimizing with respect to the electron density...

transiesta
 Referenced in 8 articles
[sw33754]
 initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms ... electrons, and linear combination of finiterange numerical atomic orbitals to describe the valence states ... more transparent scheme involving the scattering states. As an illustration, the method is applied ... results to earlier ab initio DFT calculations or experiments, and we point out differences between...

FHIgap
 Referenced in 1 article
[sw10804]
 electrons, even for groundstate densityfunctional theory (DFT) calculations. The situation can become more ... severe in GWGW calculations, because pseudowavefunctions are used in the computation of the self ... present the package FHIgap, an allelectron GWGW implementation based on the fullpotential ... code can handle core, semicore, and valence states on the same footing, which allows...

YFSWW3
 Referenced in 11 articles
[sw06045]
 pair production and decay in electronpositron collisions. It includes O(α) electroweak radiative corrections ... stage together with the O(α3) initialstateradiation (ISR) corrections in the leadinglogarithmic ... semianalytical code KorWan for the calculations of the differential and total crosssections...

TROVE
 Referenced in 2 articles
[sw22285]
 calculations of rovibrational energies for general polyatomic molecules of arbitrary structure in isolated electronic states ... this case, the variational calculations employ a numerical finite basis representation for the largeamplitude...