• transiesta

  • Referenced in 5 articles [sw33754]
  • range numerical atomic orbitals to describe the valence states . We fully deal with the atomistic...
  • FLEUR

  • Referenced in 3 articles [sw22272]
  • electron method and thus treats core and valence electrons and can deal with hyperfine properties...
  • AffectNet

  • Referenced in 1 article [sw30104]
  • AffectNet: A Database for Facial Expression, Valence, and Arousal Computing in the Wild. Automated affective ... computing in the continuous dimensional model (e.g., valence and arousal). To meet this need ... discrete facial expressions and the intensity of valence and arousal. AffectNet ... largest database of facial expression, valence, and arousal in the wild enabling research in automated...
  • FHI-gap

  • Referenced in 1 article [sw10804]
  • codes rely on pseudopotentials in which only valence electrons are treated explicitly. The pseudopotential method ... self-energy and the core–valence interaction is approximated at the DFT level. In this ... code can handle core, semicore, and valence states on the same footing, which allows ... correct treatment of core–valence interaction. Moreover, it does not rely on any pseudopotential...
  • RCCPAC

  • Referenced in 1 article [sw25905]
  • cluster program for closed-shell and one-valence atoms and ions in FORTRAN. We report ... cluster equations for closed-shell and one-valence atoms and ions. The parallelization is implemented ... different properties of closed-shell and one-valence atom or ion. As an example...
  • UNTOU3

  • Referenced in 2 articles [sw11853]
  • number of valence particles) among these levels subject to restrictions (betweeness conditions) of the Gelfand...
  • RSPt

  • Referenced in 1 article [sw07550]
  • RSPt allows for multiple energy sets (i.e. valence and semi-core states) with the same...
  • TOMBO

  • Referenced in 1 article [sw16832]
  • systems that consist both of core and valence electrons and nuclei, based on density-functional...
  • sdt

  • Referenced in 1 article [sw16956]
  • large model spaces that go beyond valence-shell applications...
  • HERAFitter

  • Referenced in 1 article [sw21584]
  • data provide significant constraints on the d-valence quark distribution...
  • ERKALE

  • Referenced in 1 article [sw26730]
  • momentum densities, Compton profiles, and core and valence electron excitation spectra of atoms and molecules...
  • ramarobinsids

  • Referenced in 1 article [sw28288]
  • proving generalized eta-product identities using the valence formula for modular functions. We show...
  • thetaids

  • Referenced in 1 article [sw28289]
  • proving generalized eta-product identities using the valence formula for modular functions. We show...
  • azTotMD

  • Referenced in 1 article [sw28390]
  • range and Coulomb pair potentials, bonded and valence angle interactions, the Nose–Hoover thermostat...
  • MVPACK

  • Referenced in 1 article [sw30367]
  • magnetic properties of high nuclearity mixed valence clusters. We present a FORTRAN code based...
  • adcc

  • Referenced in 1 article [sw33448]
  • available in adcc, including the respective core-valence separation and spin-flip variants. Both restricted...
  • CI-MBPT

  • Referenced in 0 articles [sw25201]
  • former explicitly accounts for the interaction between valence electrons, while the latter includes core–core ... core–valence correlations. These two methods are combined to acquire benefits from both approaches...
  • DiffPy-CMI

  • Referenced in 0 articles [sw15292]
  • based quantities, such as PDF, SAS, bond valence sums, atom overlaps, bond lengths, and coordinations...
  • GAP

  • Referenced in 2735 articles [sw00320]
  • GAP is a system for computational discrete algebra...
  • grasp2k

  • Referenced in 6 articles [sw00379]
  • The grasp2K relativistic atomic structure package. Nature of...