Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State (eBook)

N.I. Gidopoulos, Stephen Wilson (Herausgeber)

eBook Download: PDF

2013
Springer Netherlands (Verlag)
978-94-017-0409-0 (ISBN)

Infos

This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under- standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel- ativistic quantum mechanics is required for molecular systems contain- ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co- ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.

Produkt-Details

• Erscheint lt. Verlag: 9.3.2013
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• ISBN-10: 94-017-0409-0 / 9401704090
• ISBN-13: 978-94-017-0409-0 / 9789401704090