 Density-Functional Methods in Chemistry and Materials Science
ISBN: 978-0-471-96759-0
Hardcover
374 pages
August 1998
US $460.00
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Partial table of contents:
Acidity and Basicity: The Role of Electronegativity, Hardness and Softness (P. Geerlings, et al.).
Some Recent Density-Functional Studies of Molecular Systems (M. Springborg).
Clusters -
A Density-Functional Story (R. Jones).
Calculations of EPR Parameters and Radical-Matrix Interactions (L. Eriksson).
Structural and Electronic Properties of Polymeric Systems (M. Springborg).
Electronic Structure Calculations for Crystalline Materials (V. Eyert).
Point Defects in Solids (M. Puska & M. Nieminen).
Cluster Expansions: The Link Between Density-Functional Methods and Alloy Thermodynamics.
Index.
Acidity and Basicity: The Role of Electronegativity, Hardness and Softness (P. Geerlings, et al.).
Some Recent Density-Functional Studies of Molecular Systems (M. Springborg).
Clusters -
A Density-Functional Story (R. Jones).
Calculations of EPR Parameters and Radical-Matrix Interactions (L. Eriksson).
Structural and Electronic Properties of Polymeric Systems (M. Springborg).
Electronic Structure Calculations for Crystalline Materials (V. Eyert).
Point Defects in Solids (M. Puska & M. Nieminen).
Cluster Expansions: The Link Between Density-Functional Methods and Alloy Thermodynamics.
Index.
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