Difference between revisions of "Samples"

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Input and output files for several illustrative calculations are prepared in the [http://www 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 ===
 
=== Sample-1 ===

Revision as of 17:20, 9 June 2017

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