• BenderWu

  • Referenced in 12 articles [sw22948]
  • perturbation theory of an arbitrary, locally harmonic 1D quantum mechanical potential as well ... many-body) generalization. The latter may form a prototype for regularized quantum field theory...
  • VASP

  • Referenced in 14 articles [sw19550]
  • quantum-mechanical molecular dynamics, from first principles. VASP computes an approximate solution to the many ... body Schrödinger equation, either within density functional theory (DFT), solving the Kohn-Sham equations...
  • ct-hyb

  • Referenced in 2 articles [sw17809]
  • where the complicated many-body problem is mapped onto an auxiliary quantum impurity model ... dynamical mean-field theory and its cluster and diagrammatic extensions. The quantum ... impurity model still constitutes a nontrivial many-body problem, which takes into account the (possibly...
  • TRIQS

  • Referenced in 2 articles [sw19502]
  • modern quantum many-body solvers and interfaces between density-functional-theory codes and dynamical mean...
  • BerkeleyGW

  • Referenced in 7 articles [sw17734]
  • that is based on the many-body perturbation theory employing the ab initio ... with many density-functional theory codes for ground-state properties, including PARATEC, PARSEC, Quantum ESPRESSO...
  • ORCA

  • Referenced in 1 article [sw32413]
  • functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods...
  • Tensor Network Theory

  • Referenced in 3 articles [sw30920]
  • Network Theory (TNT) provides efficient and accurate methods for simulating strongly correlated quantum systems ... network of tensors, the many-body wave function representing the system and the operators that...
  • QEngine

  • Referenced in 2 articles [sw30671]
  • simulating and controlling ultracold quantum systems using optimal control theory (OCT). The most notable systems ... presented here are Bose-Einstein condensates, many-body systems described by Bose-Hubbard type models...
  • SPEEDUP

  • Referenced in 2 articles [sw21743]
  • addition to the general 1D quantum theory, developed Mathematica codes are capable of calculating effective ... well as for a general many-body theory in arbitrary number of spatial dimensions...
  • TeNPy

  • Referenced in 1 article [sw27023]
  • powerful tools to efficiently simulate quantum many-body systems in and out of equilibrium ... established tool in condensed matter theory and quantum chemistry. In these lecture notes, we combine...
  • Psi4NumPy

  • Referenced in 1 article [sw35715]
  • clear, understandable Python computer code for new quantum chemical methods, while maintaining a relatively ... many-body perturbation theory, coupled-cluster theory, configuration interaction, and symmetry-adapted perturbation theory. Furthermore ... integrated into Jupyter notebooks, allowing background, underlying theory, and formula information to be associated with ... lower the barrier for future development of quantum chemistry methods. These implementations also demonstrate...
  • DeePMD-kit

  • Referenced in 2 articles [sw22318]
  • molecular dynamics. Recent developments in many-body potential energy representation via deep learning have brought ... with high-performance classical molecular dynamics and quantum (path-integral) molecular dynamics packages, i.e., LAMMPS ... different purposes. As an example of the many potential applications of the package ... model using data obtained from density functional theory. We demonstrate that the resulted molecular dynamics...
  • ALPO

  • Referenced in 10 articles [sw00035]
  • This paper describes an implementation of the one...
  • GRASP92

  • Referenced in 22 articles [sw00380]
  • We describe a suite of programs for multiconfiguration...
  • LAPACK

  • Referenced in 1647 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...
  • Maple

  • Referenced in 5168 articles [sw00545]
  • The result of over 30 years of cutting...
  • Mathematica

  • Referenced in 6041 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • Matlab

  • Referenced in 12477 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • R

  • Referenced in 8728 articles [sw00771]
  • R is a language and environment for statistical...
  • REDUCE

  • Referenced in 740 articles [sw00789]
  • REDUCE is an interactive system for general algebraic...