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    COSMOlogic TURBOMOLE 2016 version 7.1

    COSMOlogic TURBOMOLE 2016 version 7.1 | 1.7 Gb

    COSMOlogic has presented 7.1 version of TURBOMOLE 2016, is a highly optimized software package for large-scale quantum chemical simulations of molecules, clusters, and periodic solids.

    Turbomole uses Gaussian basis sets and specializes on predictive electronic structure methods with excellent cost to performance characteristics, such as (time-dependent) density functional theory (TDDFT), second-order Moller–Plesset theory, and explicitly correlated coupled cluster (CC) methods. These methods are combined with ultraefficient and numerically stable algorithms such as integral-direct and Laplace transform methods, resolution-of-the-identity, pair natural orbitals, fast multipole, and low-order scaling techniques.