Difference between revisions of "Samples"

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(Created page with "== Samples == === Sample-1 === Ground state calculation of acetylene (C2H2) molecule * Explanations for input and output files * Download input and output files === Sample-2...")
 
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== Samples ==
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Input and output files for several illustrative calculations are prepared in the [http://www Sample]. They are:
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* Calculations for isolated molecules and nanostructures, taking ethylene (C2H4) molecule as example.
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* Ground state calculation of ethylene molecule.
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* Real-time calculation for oscillator strength distribution of ethylene molecules.
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* Real-time electron dynamics calculation for ethylene under irradiation of a pulsed electric field.
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* Calculations for infinitely periodic solids, taking crystalline silicon as example.
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* Ground state and real-time dielectric function calculations of crystalline silicon.
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* Ground state and real-time electron dynamics calculation for crystalline silicon under pulsed electric field.
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* Coupled multiscale dynamics of electrons and electromagnetic fields in crystalline silicon.
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=== Sample-1 ===
 
=== Sample-1 ===

Revision as of 17:19, 9 June 2017

Input and output files for several illustrative calculations are prepared in the Sample. They are:

  • Calculations for isolated molecules and nanostructures, taking ethylene (C2H4) molecule as example.
  • Ground state calculation of ethylene molecule.
  • Real-time calculation for oscillator strength distribution of ethylene molecules.
  • Real-time electron dynamics calculation for ethylene under irradiation of a pulsed electric field.
  • Calculations for infinitely periodic solids, taking crystalline silicon as example.
  • Ground state and real-time dielectric function calculations of crystalline silicon.
  • Ground state and real-time electron dynamics calculation for crystalline silicon under pulsed electric field.
  • Coupled multiscale dynamics of electrons and electromagnetic fields in crystalline silicon.


Sample-1

Ground state calculation of acetylene (C2H2) molecule

  • Explanations for input and output files
  • Download input and output files

Sample-2

Real-time calculation for polarizability and oscillator strength distribution of acetylene molecule

  • Explanations for input and output files
  • Download input and output files

Sample-3

Real-time electron dynamics calculation of acetylene molecule under time-dependent electric field

  • Explanations for input and output files
  • Download input and output files

Sample-4

Ground state and real-time dielectric function calculation of crystalline silicon

  • Explanations for input and output files
  • Download input and output files

Sample-5

Coupled multi scale calculation of electrons and electromagnetic fields in crystalline silicon

  • Explanations for input and output files
  • Download input and output files