Samples

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
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Sample-2

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

• Explanations for input and output files
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Sample-3

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

• Explanations for input and output files
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Sample-4

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

• Explanations for input and output files
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Sample-5

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

• Explanations for input and output files
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