COSMOlogic TURBOMOLE 7.4 x64

TURBOMOLE is a highly optimized software package for simulating large-scale quantum chemistry of molecules, clusters and periodic solids. TURBOMOLE software uses the Gaussian basis set and specializes in electron structure prediction methods such as: density function theory, second-order Müller Plesset theory. These methods are combined with extremely efficient and stable numerical algorithms such as direct integral and Laplace transform, identity resolution, natural orbital coupling and fast polarization. TURBOMOLE software is one of the fastest and most stable code available for quantum chemistry. Unlike many other applications, the main focus of TURBOMOLE development is not to implement all methods and functions, but to provide a fast and consistent code capable of treating industrial molecules in a reasonable amount of time and memory required. .

TURBOMOLE Features and Features:

• All Standards and Methods for Hartree-Fock, DFT, MP2, CCSD (T) Calculations
• Excitation mode tests at different levels of fRPA, TDDFT, CIS (D), CC2, ADC (2)
• Geometric optimization and molecular dynamics calculations
• Different properties and spectra of IR, UV / Vis, Raman, CD
• Fast and reliable code, such as RI estimates used to speed up computation without introducing uncontrolled or unknown errors
• Develop COSMOtools for specific applications such as micellar partitioning or 3D-alignment and QSAR
• Equal version for all types of jobs

System Requirements

Pictures

Test log:

version 7.4 has been installed and successfully activated on Windows 10 64-bit edition on September 1, 2023.

Download Links

COSMOlogic TURBOMOLE 7.4 (TmoleX 19 v4.5.3N)

Download COSMOlogic TURBOMOLE 7.1

Size

559 MB