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  2. Wave packet - Wikipedia

    en.wikipedia.org/wiki/Wave_packet

    For example, if an electron wave packet is initially localized in a region of atomic dimensions (i.e., 1010 m) then the width of the packet doubles in about 10 −16 s. Clearly, particle wave packets spread out very rapidly indeed (in free space): [ 17 ] For instance, after 1 ms, the width will have grown to about a kilometer.

  3. SIESTA (computer program) - Wikipedia

    en.wikipedia.org/wiki/SIESTA_(computer_program)

    Projects the electron wave functions and density onto a real-space grid to calculate the Hartree and exchange-correlation potentials and their matrix elements. Besides the standard Rayleigh-Ritz eigenstate method , it allows the use of localized linear combinations of the occupied orbitals (valence-bond or Wannier-like functions), making the ...

  4. Multi-configuration time-dependent Hartree - Wikipedia

    en.wikipedia.org/wiki/Multi-configuration_time...

    Multi-configuration time-dependent Hartree (MCTDH) is a general algorithm to solve the time-dependent Schrödinger equation for multidimensional dynamical systems consisting of distinguishable particles.

  5. Spartan (chemistry software) - Wikipedia

    en.wikipedia.org/wiki/Spartan_(chemistry_software)

    The software contains an integrated graphical user interface. Touch screen operations are supported for Windows 7 and 8 devices. Construction of molecules in 3D is facilitated with molecule builders (included are organic, inorganic, peptide, nucleotide, and substituent builders). 2D construction is supported for organic molecules with a 2D ...

  6. List of quantum chemistry and solid-state physics software

    en.wikipedia.org/wiki/List_of_quantum_chemistry...

    List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...

  7. List of finite element software packages - Wikipedia

    en.wikipedia.org/wiki/List_of_finite_element...

    EM, Heat Transfer and Stress Analysis [10] Tera Analysis Ltd: 6.4 [11] 2020-04-17: Proprietary EULA: Free Student Edition available [12] Windows: Pam Crash: Best used for explicit dynamics / crash analysis ESI 15.5.1 2020-03-05 Proprietary commercial software: Linux, Windows: LS-DYNA: Best known for explicit dynamics / crash analysis

  8. MDynaMix - Wikipedia

    en.wikipedia.org/wiki/MDynaMix

    The package runs on Unix and Unix-like workstations, clusters of workstations, and on Windows in sequential mode. MDynaMix is developed at the Division of Physical Chemistry, Department of Materials and Environmental Chemistry, Stockholm University, Sweden. It is released as open-source software under a GNU General Public License (GPL).

  9. Trojan wave packet - Wikipedia

    en.wikipedia.org/wiki/Trojan_wave_packet

    In physics, a wave packet is a short "burst" or "envelope" of wave action that travels as a unit. A wave packet can be analyzed into, or can be synthesized from, an infinite set of component sinusoidal waves of different wavenumbers, with phases and amplitudes such that they interfere constructively only over a small region of space, and destructively elsewhere.