Q-Chem 5.0.1 Linux x64

 

Description

Q-Chem is a set of general electronic structures with a variety of new methods implemented using state-of-the-art algorithms that provide fast computing of large systems at regular workstations using performance density and wave-based approaches . he does. Q-Chem software provides an integrated graphical interface and input generator, a wide range of functions and correlation methods, including emotional state methods in open mode and open shell system. In addition to serving the computational chemistry community, Q-Chem also provides a class code development platform.

Features of Q-Chem:

• Fully integrated graphical interface including molecular constructor, input generator, text help and visualization tools
• Dispersion and modified hybrid DFT performance
• Faster algorithms for calculating DFT, HF, and common batches
  
• Emotional state structures and vibrations with TD-DFT
• Surveying methods have potentially complex energy levels
• Effective spatial models Strong correlations
• Effective definite potential and QM / MM for large systems
• First and second analytical derivatives for optimizing geometry and harmonic frequency analysis
• Fast numerical integration of exchange-correlation with mrXC (multiple exchange correlation)
• Efficient algorithms for fast synchronization
• A variety of guessing options (including MOM)
• Various local types, GGA, mGGA, hybrid, double, dispersion modified, range separation capability ( energy and first and second analytical derivatives )
  
• TDDFT and spin-flip-TDDFT formulations (energy and slope)
• Perform a number of general quantum chemistry calculations, such as Hartree-Fock and performance density theory
  

Q-Chem system requirements

Operating system
GNU / Linux x86_64

Pictures

Installation guide 

 

Read the Readme.txt file.

download link

Download Q-Chem_5.0.1_Linux_x64

File password (s): www.downloadly.ir

Size

203 MB