0
Your cart

Your cart is empty

Browse All Departments
  • All Departments
Price
  • R5,000 - R10,000 (2)
  • -
Status
Brand

Showing 1 - 2 of 2 matches in All Departments

The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State... The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State (Hardcover, 2004 ed.)
N.I. Gidopoulos, Stephen Wilson
R5,168 Discovery Miles 51 680 Ships in 18 - 22 working days

This volume records the proceedings of a Forum attended by many leading researchers working in the field of Electron Density, Density Matrix and Density Functional Theory held at the Coseners' House, Abingdon-on-Thames, Oxfordshire, UK in early summer 2002.
It has long been recognized that "All the necessary information required for the energy and for calculating the properties of molecules is embodied in the first- and second-order density matrices." The wave function contains much more information than is required to yield the energy or other property. But the density matrices must correspond to some physically acceptable wave function. Coleman, one of the distinguished participants in the Forum, has dubbed this "Coulson's challenge." His paper describing recent work on the N-representability problem is included in this volume. McWeeny discusses some unsolved problems in density matrix theory and density functional theory; and Bader discusses the use of the electron density in explaining the structure and properties of atoms and molecules.
Density Functional Theory is widely used in studies of molecular and solid state systems. Yet the theoretical apparatus for this approach remains under active development. Theophilou describes a new formulation of density functional theory. Gross and his coworkers present a time-dependent theory for molecules in strong laser pulses. Nagy considers pair density functional theory, while Ludena and his colleagues examine functional N-representability in density matrix and density functional theory.
The meeting concluded with a Forum, ably chaired by B.T. Sutcliffe, in which the latest research and results were discussed. A record of thisForum is included in this volume.
This book will be of value to researchers and research students in theoretical chemistry and theoretical physics whose work involves the theoretical study of atoms, molecules and the solid state. It will be of interest to quantum chemists and solid state physicists, to materials scientists and applied mathematicians.

The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State... The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State (Paperback, Softcover reprint of hardcover 1st ed. 2004)
N.I. Gidopoulos, Stephen Wilson
R5,140 Discovery Miles 51 400 Ships in 18 - 22 working days

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."

Free Delivery
Pinterest Twitter Facebook Google+
You may like...
Treating Arthritis Exercise Book
Christine Horner Paperback R284 R249 Discovery Miles 2 490
Back Pain - Natural Drug Free Remedies…
Robert Slee Hardcover R539 R495 Discovery Miles 4 950
Graphene Network Scaffolded Flexible…
Dongliang Chao Hardcover R1,521 Discovery Miles 15 210
Advances in Bioelectrochemistry Volume 4…
Frank N. Crespilho Hardcover R4,228 Discovery Miles 42 280
Metal Electrodes for Battery…
Yurong Ren, Jianmin Ma Hardcover R3,285 Discovery Miles 32 850
Thin-Film Catalysts for Proton Exchange…
Peter Kus Hardcover R2,653 Discovery Miles 26 530
My Stryd Met ADHD - Die Onsigbare Oorlog
Hykie Berg Paperback  (1)
R285 R255 Discovery Miles 2 550
Synthesis of Functional Nanomaterials…
Huan Pang, Xiaoyu Cao, … Hardcover R4,023 Discovery Miles 40 230
AMPossible - Real-World Solutions for…
Jeffrey Allen Mangus Hardcover R957 Discovery Miles 9 570
Research Anthology on Physical and…
Information R Management Association Hardcover R10,584 Discovery Miles 105 840

 

Partners