• MCTDH

  • Referenced in 33 articles [sw14837]
  • system evolving on one or several coupled electronic potential energy surfaces. MCTDH by its very...
  • TRHD

  • Referenced in 11 articles [sw16786]
  • thermal relaxation between the electrons and ions and the coupling between the radiation and matter ... self-consistently. For this, the coupled flux limited electron heat conduction and the non-equilibrium...
  • MOLPRO

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

  • Referenced in 6 articles [sw01142]
  • PENELOPE performs Monte Carlo simulation of coupled electron-photon transport in arbitrary materials and complex...
  • CTF

  • Referenced in 8 articles [sw25687]
  • those required in the Coupled Cluster (CC) electronic structure method to massively-parallel supercomputers...
  • EGSnrc

  • Referenced in 4 articles [sw14160]
  • build Monte Carlo simulations of coupled electron-photon transport, for particle energies ranging from...
  • ASYMPT

  • Referenced in 10 articles [sw00053]
  • relevant corrections to matrix elements of potential coupling. The asymptotic potentials obtained can be used ... functions of two-electron syste! ms in the adiabatic and coupled-channel approximations...
  • KANTBP

  • Referenced in 18 articles [sw00482]
  • matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach. Nature of problem ... multi-dimensional Schrödinger equation for a two-electron system [5] or a hydrogen atom ... contain potential matrix elements and first-derivative coupling terms. The purpose of this paper...
  • PyCDFT

  • Referenced in 1 article [sw33370]
  • benchmark its accuracy by computing the electronic coupling between diabatic states...
  • RMATRX1

  • Referenced in 11 articles [sw17818]
  • matrix method to calculate electron-atom and electron-ion collision processes, with options to calculate ... Calculations can be either in LS-coupling or in an intermediate-coupling scheme. The program...
  • PARSEC

  • Referenced in 19 articles [sw22333]
  • initio quantum-mechanical calculations of the electronic structure of matter, within density-functional theory. PARSEC ... confined-system boundary conditions only). Spin-orbit coupling. Non-collinear magnetism...
  • EPW

  • Referenced in 1 article [sw06043]
  • program for calculating the electron-photon coupling using maximally localized Wannier functions EPW makes ... space formulation and combines the Kohn-Sham electronic eigenstates and the vibrational eigenmodes provided...
  • PTSIM

  • Referenced in 1 article [sw37437]
  • computer code package for Monte Carlo photon - electron transport simulation. A computer code package (PTSIM ... flexible system for simulation of coupled photon, electron transport, facilitating development of efficient simulation applications...
  • VASP

  • Referenced in 15 articles [sw19550]
  • projector-augmented-wave method. To determine the electronic groundstate, VASP makes use of efficient iterative ... DIIS) or blocked Davidson algorithms. These are coupled to highly efficient Broyden and Pulay density...
  • QuantumATK

  • Referenced in 1 article [sw37718]
  • calculations, first-principles electron-phonon and electron-photon couplings, simulation of atomic-scale heat transport ... limited mobility of Cu, Ag and Au, electron transport in a gated 2D device, multi...
  • MCNP4C

  • Referenced in 2 articles [sw11637]
  • energy, generalized geometry, time-dependent, coupled neutron-photon-electron Monte Carlo transport code system. MCNP4C...
  • STATCOM

  • Referenced in 5 articles [sw40844]
  • Transmission Systems (FACTS) family using power electronics to control power flow and improve transient stability ... side of a coupling transformer. The VSC uses forced-commutated power electronic devices (GTOs, IGBTs...
  • Psi4

  • Referenced in 8 articles [sw16552]
  • Psi4: An open-source ab initio electronic structure program. The Psi4 program ... density-functional theory to configuration interaction and coupled cluster. The program is written entirely ... efficiency computations of both standard and emerging electronic structure methods on conventional and high-performance...
  • 2DRMP

  • Referenced in 2 articles [sw10283]
  • solving the close-coupling equations that arise in electron and photon collisions with atoms, ions...
  • GKW

  • Referenced in 3 articles [sw10271]
  • limit: kinetic electrons, electromagnetic effects, collisions, full general geometry with a coupling...