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Computational Materials Chemistry
. Ed(S): Curtiss, L.A.; Gordon, M.S.
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Description for Computational Materials Chemistry
Paperback. Editor(s): Curtiss, L.A.; Gordon, M.S. Num Pages: 372 pages, biography. BIC Classification: PHQ; TDC. Category: (P) Professional & Vocational. Dimension: 234 x 156 x 20. Weight in Grams: 537.
As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable ... Read more
As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable ... Read more
Product Details
Format
Paperback
Publication date
2010
Publisher
Springer Netherlands
Number of pages
372
Condition
New
Number of Pages
372
Place of Publication
Dordrecht, Netherlands
ISBN
9789048164974
SKU
V9789048164974
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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