• MOLPRO

  • Referenced in 22 articles [sw06125]
  • computations, with extensive treatment of the electron correlation problem through the multiconfiguration-reference CI, coupled ... associated methods. The recently developed explicitly correlated coupled-cluster methods yield CCSD(T) results with ... orders of magnitude. Using local electron correlation methods, which significantly reduce the increase...
  • REOS99

  • Referenced in 4 articles [sw00799]
  • must include the effects of relativity, electron correlations, and the rearrangement of the electron density...
  • ALPSCore

  • Referenced in 3 articles [sw28323]
  • systems, in particular systems with strongly correlated electrons. They consist of a set of components...
  • iQIST

  • Referenced in 2 articles [sw16777]
  • applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role ... dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development...
  • ct-hyb

  • Referenced in 2 articles [sw17809]
  • role in the description of strongly correlated electron materials, where the complicated many-body problem...
  • TRIQS

  • Referenced in 2 articles [sw19502]
  • quantum physics, and in particular, strongly-correlated electronic systems. It supplies components to develop codes...
  • mcci

  • Referenced in 1 article [sw12215]
  • generation computer program for the calculation of electronic states of atoms, molecules, and quantum dots ... considered molecules with up to 20 correlated electrons. With reasonable sized basis set expansions ... cent of the correlation energy has been obtained for small molecular systems. In principle, there ... solids is currently being investigated, and the electronic states for simplified models of quantum dots...
  • CPMC-Lab

  • Referenced in 1 article [sw19934]
  • calculations in many other models for correlated electron systems, and can serve as a template...
  • fhi98PP

  • Referenced in 10 articles [sw17871]
  • initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory ... generalized gradient approximation for exchange and correlation are implemented...
  • RDFTools

  • Referenced in 2 articles [sw30881]
  • distribution functions and other pair correlation functions from electron diffraction patterns of disordered solids...
  • RegulonDB

  • Referenced in 51 articles [sw25948]
  • Escherichia coli K12, currently the best-known electronically encoded database of the genetic regulatory network ... data can be accessed through overviews of correlations about gene regulation. RegulonDB associated original literature...
  • CheMPS2

  • Referenced in 4 articles [sw17633]
  • strong correlation. In the fields of condensed matter, nuclear structure and molecular electronic structure ... electrons, D 𝖲𝖴(2) =2500)/cc-pVDZ level of theory. The contribution of 1s core correlation...
  • CRYSCOR

  • Referenced in 5 articles [sw20310]
  • electronic structure calculations for 1D-, 2D- and 3D-periodic non-conducting systems at the correlated ... periodic LCAO-code CRYSTAL. The local correlation scheme is similiar to that applied ... techniques, e.g. in the MOLPRO package. Two-Electron integrals are efficiently calculated using the density...
  • SHIML

  • Referenced in 2 articles [sw10294]
  • perturbed angular correlation spectroscopy (PAC) measure electronic and magnetic structure within Angstroms of nuclear probes...
  • xc_functional

  • Referenced in 1 article [sw34850]
  • parametrization of the exchange correlation free energy of the uniform electron gas at finite temperature ... Bonitz; Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense...
  • AAPL

  • Referenced in 1 article [sw27882]
  • materials characterized by strong electron localization and correlation. Combining AAPL with the pseudo-hybrid functional...
  • nextnano

  • Referenced in 5 articles [sw11317]
  • predicting and understanding a wide range of electronic and optical properties of semiconductor nanostructures ... correlation effects are taken into account in terms of the local density scheme. The electronic...
  • WHIZARD

  • Referenced in 17 articles [sw17837]
  • processes as decay cascades including complete spin correlations. Different options for QCD parton showers ... CIRCE) and ISR spectra are included for electrons and photons. The events can be written...
  • RELION

  • Referenced in 15 articles [sw22792]
  • macromolecular structures by single-particle analysis of electron cryo-microscopy (cryo-EM) data. Whereas alternative ... called gold-standard Fourier shell correlation (FSC) procedure to prevent overfitting is also described...
  • CoolProp

  • Referenced in 10 articles [sw27300]
  • states method. All of the thermophysical property correlations described here have been implemented into CoolProp ... CoolProp library is included as an electronic annex...