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Density functional theory of atoms and molecules by Robert G. Parr, Yang Weitao

Density functional theory of atoms and molecules Robert G. Parr, Yang Weitao ebook
Format: djvu
Page: 338
ISBN: 0195042794, 9780195042795
Publisher: Oxford University Press, USA

Density Functional Theory An Approach to the Quantum Many-Body Problem – R. Unpaired electrons lead to a magnetic moment, The calculation of chemical bonds between the atoms of a molecule became possible only after the development of approximation methods and the more ubiquitous use of computers in the 1960s. Density.functional.theory.of.atoms.and.molecules.pdf. For molecules with unpaired electrons, also called open-shell systems, DFT cannot yet be applied in a satisfactory manner. Dreizler.djvu FILE Density functional theory of atoms and molecules - W. Density Functional Theory (DFT) for open-shell molecules: Spin calculations. Density Functional Theory An Approach to the Quantum Many-Body Problem - R. Density functional theory of atoms and molecules. Density functional theory of atoms and molecules – W. Holthausen "A Chemist's Guide to Density Functional Theory, 2nd Ed." Wiley-VCH, 2001. Density functional theory – John P. Yang "Density-Functional Theory of Atoms and Molecules" Oxford University Press, 1989.