Download 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 novel algorithms that enable fast computation of large systems on regular workstations using functional density and Wavelet based approaches provides The Q-Chem software provides an integrated graphical interface and input generator, a wide selection of functions and correlation methods, including excited state methods in the electronic state and the open-shell system. In addition to serving the computational chemistry community, Q-Chem also provides a class code development platform.

Features and facilities of Q-Chem:

• Fully integrated graphical interface including molecular builder, input generator, textual help and visualization tools
• DFT performance of hybrid and modified scattering
• Faster algorithms for calculating DFT, HF, and common categories
  
• Structure and vibrations of excited states with TD-DFT
• Methods of mapping complex potential energy surfaces
• Effective spatial models Strong correlation
• Effective terminal potential And QM/MM for large systems
• Analytical first and second derivatives for geometry optimization and harmonic frequency analysis
• Fast numerical integration of exchange-correlation with mrXC (multiple exchange-correlation)
• Efficient algorithms for fast synchronization
• A variety of guess options (including MOM)
• Various types of local, GGA, mGGA, hybrid, doubling, dispersion modified, range separation capability (Energy and analytical first and second derivatives)
  
• TDDFT and spin-flip-TDDFT formulations (energy and slope)
• Perform a number of general quantum chemistry calculations, such as Hartree-Fock and density functional theory
  

required system Q-Chem

Operating system
GNU/Linux x86_64

Pictures

Installation guide

Read the Readme.txt file.

download link

Download Q-Chem_5.0.1_Linux_x64

Password file(s): www.downloadly.ir

Size

203 MB