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Electronic structure modeling : connections between theory and software / Carl Trindle, Donald Shillady

By: Contributor(s): Material type: TextTextPublication details: Boca Raton, FL : CRC, [2008]Description: xviii, 484 p. : ill. ; 25 cm + 1 computer optical disc (4 3/4 in.)ISBN:
  • 9780849384066
  • 9780849384066
Subject(s): Summary: Introducing electronic structure codes for non-specialists, this text illustrated theoretical methods with numerical detail and model calculations. It clarifies what these modeling programs can do, their known pathologies, which ones are suited for specific kinds of projects, and how to reproduce and apply them.
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Item type Current library Call number Status Date due Barcode
General General ATU Dublin Road General Shelves 541.28 (Browse shelf(Opens below)) Available G109220

Includes bibliographical references and index

Introducing electronic structure codes for non-specialists, this text illustrated theoretical methods with numerical detail and model calculations. It clarifies what these modeling programs can do, their known pathologies, which ones are suited for specific kinds of projects, and how to reproduce and apply them.

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