TY  - BOOK
AU  - Springborg, Michael 
AU  - Springborg,Michael
TI  - Density-functional methods in chemistry and materials science
SN  - 0471967599 
U1  - 541.28 21
PY  - 1997///
CY  - Chichester
PB  - Wiley
KW  - Density functionals
KW  - Quantum chemistry
KW  - Electronic structure
N1  - Includes bibliographical references (p.    -   ) and index; Density-functional formalism : foundations, limitations and applications / Michael Springborg --
; Acidity and basicity : the role of electronegativity, hardness and softness / P. Geerlings, F. De Proft and W. Langenaeker --
; Some recent density-functional studies of molecular systems / Michael Springborg --
; Density-functional theory as a practical tool in studies of transition metal chemistry and catalysis / Tom Ziegler --
; Clusters: a density-functional story / R.O. Jones --

; Calculations of EPR parameters and radical-matrix interactions / Leif A. Eriksson --

; Density-functional studies of spin-coupled transition metal dimer and tetramer complexes / Louis Noodleman [and others] --


; Calculations of chemical processes in solution by density-functional and other quantum-mechanical techniques / Richard P. Muller, Tomek Wesolowski and Arieh Warshel --



; Structural and electronic properties of polymeric systems / Michael Springborg --



; Electronic structure calculations for crystalline materials / Volker Eyert --




; Point defects in solids / M.J. Puska and R.M. Nieminen --




; Cluster expansions : the link between density-functional methods and alloy thermodynamics / Didier de Fontaine.--




ER  -