DFTBaby

electronic structure calculations with tight-binding density functional theory

Project Samples

Results of a tight-binding calculation with DFTBaby can be visualized graphically.

Excited state calculations with TD-DFTB can be analyzed by looking at the absorption spectra, transition densities and difference densities..

Project Activity

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License

Other License

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DFTBaby Web Site

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Additional Project Details

Operating Systems

Linux

Intended Audience

Science/Research

User Interface

Programming Language

C, Fortran, Python

Related Categories

Fortran Chemistry Software, Python Chemistry Software, C Chemistry Software

Registered

2015-11-05

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