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 17:19, 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.
Contents
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
