State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More 1

Vetenskap & teknik

State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More

Philip E Hoggan • Lorenzo Ugo Ancarani

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2019

State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances in Quantum Chemistry series, presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. Chapters in this new release include Computing accurate molecular properties in real space using multiresolution analysis, Self-consistent electron-nucleus cusp correction for molecular orbitals, Correlated methods for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and much more.

Författare: Philip E Hoggan, Lorenzo Ugo Ancarani
Format: EPUB
ISBN: 9780128161746
Språk: Engelska
Utgivningsdatum: 2019-09-05
Förlag: Elsevier Science Publishing Co Inc