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Density functional theory : a practical introduction / David Scholl, Janice A. Steckel.

By: Contributor(s): Material type: TextTextPublisher: Hoboken, NJ : Wiley, 2022Edition: Second editionDescription: pages cmContent type:
  • text
Media type:
  • unmediated
Carrier type:
  • volume
ISBN:
  • 9781119840862
Subject(s): DDC classification:
  • 541/.28 23/eng20220829
LOC classification:
  • QD462.6.D45 S48 2022
Summary: "The application of density functional theory (DFT) calculations has become a "standard tool" for diverse materials modeling problems in physics, chemistry, materials science, and multiple branches of engineering. Consequently, newcomers to these methods need a concise introduction to rapidly learn the tools that allow them to actually perform calculations that are now routine in the fields listed above and to remain up to date with the new developments in DFT The textbook offers a concise, easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT), focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds, including physics, chemistry and materials science. The new edition retains the successful concept of the first edition by striking a balance between brevity and detail, making it possible for the readers to digest the text in its entirety."-- Provided by publisher.
Holdings
Item type Current library Call number Status Date due Barcode Item holds
Book Book Library 541-2022 (Browse shelf(Opens below)) Checked out 25/11/2025 AT-ISTA#003254
Total holds: 0

Includes index.

"The application of density functional theory (DFT) calculations has become a "standard tool" for diverse materials modeling problems in physics, chemistry, materials science, and multiple branches of engineering. Consequently, newcomers to these methods need a concise introduction to rapidly learn the tools that allow them to actually perform calculations that are now routine in the fields listed above and to remain up to date with the new developments in DFT The textbook offers a concise, easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT), focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds, including physics, chemistry and materials science. The new edition retains the successful concept of the first edition by striking a balance between brevity and detail, making it possible for the readers to digest the text in its entirety."-- Provided by publisher.

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