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State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79... State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 (Hardcover)
Philip E. Hoggan, Lorenzo Ugo Ancarani
R6,268 Discovery Miles 62 680 Ships in 12 - 17 working days

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.

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