Program Package For Electronic Structure Calculations : TURBOMOLE package

 

Features at a Glance

• All standard and state of the art methods for ground state calculations
  • very fast molecular and periodic DFT codes
  • very efficient Coupled-Cluster-F12 implementation
• Excited state calculations at different levels (full RPA, TDDFT, ADC(2), CC2, …)
• Many unique functionalities for excited states at the DFT and CC2 level
• Broad support for symmetry and relativistic effects
• Structure optimizations and molecular dynamics calculations
• Various properties and spectra
• Fast and reliable code
• Parallel version for all kind of jobs

 

https://www.turbomole.org/