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[null,"1.","Record Nr.",null,"UNINA9910451004703321"]
[null,null,"Autore",null,"Parr Robert G. <1921->"]
[null,null,"Titolo",null,"Density-functional theory of atoms and molecules / / Robert G. Parr and Weitao Yang"]
[null,null,"Pubbl/distr/stampa",null,"Oxford University Press ; ; Clarendon Press : , : New York, New York : , : Oxford, [England], , 1989"]
[{"$nulls":4},"©1989"]
[null,null,"ISBN",null,"0-19-756070-9"]
[{"$nulls":4},"0-19-987872-2"]
[{"$nulls":4},"9786610527700"]
[{"$nulls":4},"0-19-535773-6"]
[{"$nulls":4},"1-4294-0606-2"]
[null,null,"Descrizione fisica",null,"1 online resource (ix,333p. ) : ill"]
[null,null,"Collana",null,"International Series of Monographs on Chemistry ; ; 16"]
[null,null,"Disciplina",null,"530.4/1"]
[null,null,"Soggetti",null,"Electronic structure"]
[{"$nulls":4},"Density functionals"]
[{"$nulls":4},"Quantum theory"]
[{"$nulls":4},"Quantum chemistry"]
[{"$nulls":4},"Electronic books."]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Previously issued in print: 1989."]
[null,null,null,"Nota di bibliografia","Includes bibliographical references and indexes."]
[null,null,"Nota di contenuto",null,"1. Elementary wave mechanics; 2. Density matrices; 3. Density-functional theory; 4. The chemical potential; 5. Chemical potental derivatives; 6. Thomas-Fermi and related models; 7. The Kohn-Sham method: Basic principles; 8. The Kohn-Sham method: Elaboration; 9. Extensions; 10. Aspects of atoms and molecules; 11. Miscellany; Appendices: A. Functionals. B. Convex functions and functionals. C. Second quantization for fermions. D. The Wigner Distribution Function and the h semiclassical expansion. E. The uniform electron gas. F. Tables of values of electronegativities and hardnesses. G. The review literature of density-functional theory"]
[null,null,null,"Sommario/riassunto","This text is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and "]
[{"$nulls":4},"softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The volume is intended for physicists, chemists, and advanced students in chemistry."]