
GAUSSIAN
 Referenced in 181 articles
[sw06118]
 Starting from the basic laws of quantum mechanics, Gaussian predicts the energies, molecular structures...

FEAST
 Referenced in 83 articles
[sw04025]
 representation and contour integration technique in quantum mechanics. It is free from explicit orthogonalization procedures...

NWChem
 Referenced in 38 articles
[sw06127]
 molecular and periodic systems using quantum mechanical descriptions of the electronic wavefunction or density. NWChem ... combined to perform mixed quantummechanics and molecularmechanics simulations. Developed at Pacific Northwest National...

KSSOLV
 Referenced in 32 articles
[sw06806]
 nowadays essential for studying the microscopic quantum mechanical properties of molecules, solids, and other nanoscale...

QuTiP
 Referenced in 23 articles
[sw06625]
 fees, QuTiP is ideal for exploring quantum mechanics and dynamics in the classroom. QuTiP ... source alternative to the popular, but aging, Quantum Optics Toolbox (qotoolbox), although...

OCTOPUS
 Referenced in 20 articles
[sw08525]
 system types. Electrons are described quantummechanically within densityfunctional theory (DFT), in its time...

CoulombHiggs
 Referenced in 20 articles
[sw16336]
 computing the index of the quantum mechanics of multicentered BPS black holes (the Coulomb...

BenderWu
 Referenced in 12 articles
[sw22948]
 Aspects of Perturbation theory in Quantum Mechanics: The BenderWu Mathematica package. We discuss a general ... arbitrary, locally harmonic 1D quantum mechanical potential as well as its multivariable (manybody ... latter may form a prototype for regularized quantum field theory. We first generalize the method ... large class of problems in Quantum Mechanics. We have two hopes concerning the BenderWu package...

CHARMM
 Referenced in 115 articles
[sw05953]
 mechanical methods to investigate potential energy surfaces derived from experimental and ”ab initio” quantum chemical...

PARSEC
 Referenced in 19 articles
[sw22333]
 designed for ab initio quantummechanical calculations of the electronic structure of matter, within density...

ONETEP
 Referenced in 16 articles
[sw03256]
 linearscaling code for quantummechanical calculations based on densityfunctional theory...

VASP
 Referenced in 14 articles
[sw19550]
 modelling, e.g. electronic structure calculations and quantummechanical molecular dynamics, from first principles. VASP computes...

WavePacket
 Referenced in 8 articles
[sw19829]
 package for the numerical simulation of quantummechanical dynamics. It can be used to solve ... treated, which allows to simulate molecular quantum dynamics beyond the BornOppenheimer approximation. Optionally accounting ... well suited for the teaching of quantum mechanics as well as for research projects ... deals with the description of closed quantum systems in terms of Schr”odinger equations...

RACAH
 Referenced in 9 articles
[sw10322]
 various fields of physical research, the quantum mechanical description of manyparticle processes often requires...

BWDifference
 Referenced in 5 articles
[sw23722]
 efficiently the eigenvalue problem of “relativistic” quantum mechanical problems whose Hamiltonians are difference operators ... With the help of BWDifference, we survey quantum mirror curves of toric fano Calabi ... perturbative eigenenergies of the associated 1d quantum mechanical problems Borel summable, but also that...

nextnano
 Referenced in 5 articles
[sw11317]
 accurate and reliable treatment of quantum mechanical effects and provides a selfconsistent solution ... requires a good understanding of quantum mechanics. The input language provides a number of tools ... software in the fields of solidstate quantum computation, nanoelectronics, and optoelectronics, namely...

ELSES
 Referenced in 7 articles
[sw32899]
 generated by ELSES (http://www.elses.jp), a quantum mechanical nanomaterial simulator. The matrices are sparse, real...

PROFESS
 Referenced in 6 articles
[sw04202]
 theory (OFDFT) is a first principles quantum mechanics method to find the groundstate energy...

TBTK
 Referenced in 3 articles
[sw30075]
 TBTK: A quantum mechanics software development kit. TBTK is a software development kit for quantum ... mechanical calculations and is designed to enable the development of applications that investigate problems formulated ... create solvers for tightbinding, DFT, DMFT, quantum transport, etc., that can be easily integrated ... encourage reusability and enable scalability for quantum mechanical calculations...