• 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 quantum-mechanics and molecular-mechanics 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 quantum-mechanically within density-functional theory (DFT), in its time...
  • CoulombHiggs

  • Referenced in 20 articles [sw16336]
  • computing the index of the quantum mechanics of multi-centered 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 multi-variable (many-body ... 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 quantum-mechanical calculations of the electronic structure of matter, within density...
  • ONETEP

  • Referenced in 16 articles [sw03256]
  • linear-scaling code for quantum-mechanical calculations based on density-functional theory...
  • VASP

  • Referenced in 14 articles [sw19550]
  • modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. VASP computes...
  • WavePacket

  • Referenced in 8 articles [sw19829]
  • package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve ... treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer 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 many-particle 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 self-consistent solution ... requires a good understanding of quantum mechanics. The input language provides a number of tools ... software in the fields of solid-state 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 ground-state 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 tight-binding, DFT, DMFT, quantum transport, etc., that can be easily integrated ... encourage reusability and enable scalability for quantum mechanical calculations...