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

VASP
 Referenced in 14 articles
[sw19550]
 quantummechanical molecular dynamics, from first principles. VASP computes an approximate solution to the many ... body Schrödinger equation, either within density functional theory (DFT), solving the KohnSham equations...

cthyb
 Referenced in 2 articles
[sw17809]
 where the complicated manybody problem is mapped onto an auxiliary quantum impurity model ... dynamical meanfield theory and its cluster and diagrammatic extensions. The quantum ... impurity model still constitutes a nontrivial manybody problem, which takes into account the (possibly...

TRIQS
 Referenced in 2 articles
[sw19502]
 modern quantum manybody solvers and interfaces between densityfunctionaltheory codes and dynamical mean...

BerkeleyGW
 Referenced in 7 articles
[sw17734]
 that is based on the manybody perturbation theory employing the ab initio ... with many densityfunctional theory codes for groundstate properties, including PARATEC, PARSEC, Quantum ESPRESSO...

ORCA
 Referenced in 1 article
[sw32413]
 functional theory, manybody perturbation, coupled cluster, multireference methods, and semiempirical 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 manybody 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 BoseEinstein condensates, manybody systems described by BoseHubbard 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 manybody theory in arbitrary number of spatial dimensions...

TeNPy
 Referenced in 1 article
[sw27023]
 powerful tools to efficiently simulate quantum manybody 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 ... manybody perturbation theory, coupledcluster theory, configuration interaction, and symmetryadapted 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...

DeePMDkit
 Referenced in 2 articles
[sw22318]
 molecular dynamics. Recent developments in manybody potential energy representation via deep learning have brought ... with highperformance classical molecular dynamics and quantum (pathintegral) 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 highlevel 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...