Taschenbuch. Etat : 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. N� de r�f. du vendeur 9786134507523

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Vienna Ab-Initio Simulation Package | Ab Initio Quantum Chemistry Methods, Quantum Mechanical

Lambert M. Surhone (u. a.)

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ISBN 10 : 6134507520 ISBN 13 : 9786134507523

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Vienna Ab-Initio Simulation Package

Lambert M. Surhone

Edit� par Omniscriptum Apr 2026, 2026

ISBN 10 : 6134507520 ISBN 13 : 9786134507523

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Taschenbuch. Etat : 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 Landstra�e 99, 66123 Saarbr�cken 96 pp. Englisch. N� de r�f. du vendeur 9786134507523

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