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

See All Activity >

Categories

Chemistry

License

Other License

Follow DFTBaby

DFTBaby Web Site

Other Useful Business Software
AI-powered service management for IT and enterprise teams Icon
AI-powered service management for IT and enterprise teams

Enterprise-grade ITSM, for every business

Give your IT, operations, and business teams the ability to deliver exceptional services—without the complexity. Maximize operational efficiency with refreshingly simple, AI-powered Freshservice.
Try it Free
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of DFTBaby!

Additional Project Details

Operating Systems

Linux

Intended Audience

Science/Research

User Interface

Qt

Programming Language

Fortran, Python, C

Related Categories

Fortran Chemistry Software, Python Chemistry Software, C Chemistry Software

Registered

2015-11-05
Report inappropriate content