Advanced Theories and Computational Approaches to the Electronic Structure of Molecules

Name: Advanced Theories and Computational Approaches to the Electronic Structure of Molecules
Brand: Springer
SKU: 9789400964532
Price: 3672.0 INR
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by C. E. Dykstra

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ISBN13: 9789400964532
Binding: Paperback
Subject: N/A
Publisher: Springer
Publisher Imprint: Springer
Publication Date: October 9, 2011
Pages: 248
Original Price: EUR 49.99
Language: English
Edition: Softcover Repri
Item Weight: 380 grams
BISAC Subject(s): General and Chemistry / Physical & Theoretical

About The Book

That there have been remarkable advances in the field of molecular electronic structure during the last decade is clear not only to those working in the field but also to anyone else who has used quantum chemical results to guide their own investiga- tions. The progress in calculating the electronic structures of molecules has occurred through the truly ingenious theoretical and methodological developments that have made computationally tractable the underlying physics of electron distributions around a collection of nuclei. At the same time there has been consider- able benefit from the great advances in computer technology. The growing sophistication, declining costs and increasing accessibi- lity of computers have let theorists apply their methods to prob- lems in virtually all areas of molecular science. Consequently, each year witnesses calculations on larger molecules than in the year before and calculations with greater accuracy and more com- plete information on molecular properties. We can surely anticipate continued methodological develop- ments of real consequence, and we can also see that the advance in computational capability is not about to slow down. The recent introduction of array processors, mUltiple processors and vector machines has yielded a tremendous acceleration of many types of computation, including operations typically performed in quantum chemical studies. Utilizing such new computing power to the ut- most has required some new ideas and some reformulations of existing methods.

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