Existence of the Time Dependent Density Functional Theory - Maple Application Center
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Existence of the Time Dependent Density Functional Theory

Author
: Indranil Ghosh
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Density Functional Theory or DFT in short, is one of the most sought-after methods for quantum chemical calculations and for investigating condensed matter systems. Although this does not necessarily mean delivering the most accurate results, it often provides an optimum balance between performance (computing time for some given CPU power) and goodness of results. A lot of physical scientists employ this technique as a tool of theoretical proof-of-principle of some experimental observation. This worksheet endeavours to uphold the power of DFT in investigating time-dependent phenomena i.e. dynamics of quantum systems when not in equilibrium. This worksheet uses the Maple Quantum Chemistry Toolbox.

Application Details

Publish Date: March 16, 2021
Created In: Maple 2020
Language: English

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