Vienna ab initio simulation package (4 Ergebnisse)

Taschenbuch. Zustand: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware 96 pp. Englisch.

Taschenbuch. Zustand: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. The Vienna Ab-initio Simulation Package, better known as VASP, is a package for performing ab initio quantum mechanical molecular dynamics (MD) using either Vanderbilt pseudopotentials, or the Projector Augmented Wave Method, and a plane wave basis set. The basic methodology is Density Functional Theory (DFT), but the code also allows use of post-DFT corrections such as hybrid functionals mixing DFT and Hartree-Fock exchange, many-body perturbation theory (the GW method) and dynamical electronic correlations within the random phase approximation.…

Taschenbuch. Zustand: Neu. Vienna Ab-Initio Simulation Package | Ab Initio Quantum Chemistry Methods, Quantum Mechanical | Lambert M. Surhone (u. a.) | Taschenbuch | Englisch | 2026 | OmniScriptum | EAN 9786134507523 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu Print on Demand. …

Taschenbuch. Zustand: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Please note that the content of this book primarily consists of articlesavailable from Wikipedia or other free sources online. The ViennaAb-initio Simulation Package, better known as VASP, is a package forperforming ab initio quantum mechanical molecular dynamics (MD) usingeither Vanderbilt pseudopotentials, or the Projector Augmented WaveMethod, and a plane wave basis set. The basic methodology is DensityFunctional Theory (DFT), but the code also allows use of post-DFTcorrections such as hybrid functionals mixing DFT and Hartree-Fockexchange, many-body perturbation theory (the GW method) and dynamicalelectronic correlations within the random phase approximation.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 96 pp. Englisch.…