Electronic structure methods complex par ching wai yim (10 résultats)

Hardcover. Etat : Like New. First Edition. A nearly new copy in the publisher's laminated hardback binding; firm and square with strong joints, bright covers and sharp corners. Contents tight, crisp and clean; no marks, no stamps.

Hardcover. Etat : Near Fine. Etat de la jaquette : No Dust Jacket As Issued. First Edition. A nice, bright copy. ; 9.84 X 7.48 X 0.94 inches; 310 pages.

Hardcover. Etat : Fine. 1st Edition. Hardback in Fine condition, no dust wrapper, as issued. First edition, pp 310, diagrams, illustrations, tables, and index. Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.…

Etat : New.

Etat : New.

Etat : As New. Unread book in perfect condition.

Etat : New. In English.

Etat : As New. Unread book in perfect condition.

Etat : new. Questo è un articolo print on demand.

Hardcover. Etat : new. Hardcover. Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theoryset the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containingimpurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation. This book details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specializes in large and complex models and is able to compute a variety of useful properties including electronic, optical, and spectroscopic properties. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability. …