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Density-functional theory of atoms and molecules / / Robert G. Parr and Weitao Yang
| Density-functional theory of atoms and molecules / / Robert G. Parr and Weitao Yang |
| Autore | Parr Robert G. <1921-> |
| Pubbl/distr/stampa | Oxford University Press ; ; Clarendon Press : , : New York, New York : , : Oxford, [England], , 1989 |
| Descrizione fisica | 1 online resource (ix,333p. ) : ill |
| Disciplina | 530.4/1 |
| Collana | International Series of Monographs on Chemistry |
| Soggetto topico |
Electronic structure
Density functionals Quantum theory Quantum chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-19-756070-9
0-19-987872-2 9786610527700 0-19-535773-6 1-4294-0606-2 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 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 |
| Record Nr. | UNINA-9910451004703321 |
Parr Robert G. <1921->
|
||
| Oxford University Press ; ; Clarendon Press : , : New York, New York : , : Oxford, [England], , 1989 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Density-functional theory of atoms and molecules / / Robert G. Parr and Weitao Yang
| Density-functional theory of atoms and molecules / / Robert G. Parr and Weitao Yang |
| Autore | Parr Robert G. <1921-> |
| Pubbl/distr/stampa | Oxford University Press ; ; Clarendon Press : , : New York, New York : , : Oxford, [England], , 1989 |
| Descrizione fisica | 1 online resource (ix,333p. ) : ill |
| Disciplina | 530.4/1 |
| Collana | International Series of Monographs on Chemistry |
| Soggetto topico |
Electronic structure
Density functionals Quantum theory Quantum chemistry |
| ISBN |
0-19-756070-9
0-19-987872-2 9786610527700 0-19-535773-6 1-4294-0606-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 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 |
| Record Nr. | UNINA-9910785086803321 |
|
Parr Robert G. <1921->
|
||
| Oxford University Press ; ; Clarendon Press : , : New York, New York : , : Oxford, [England], , 1989 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Density-functional theory of atoms and molecules / / Robert G. Parr and Weitao Yang
| Density-functional theory of atoms and molecules / / Robert G. Parr and Weitao Yang |
| Autore | Parr Robert G. <1921-> |
| Pubbl/distr/stampa | Oxford University Press ; ; Clarendon Press : , : New York, New York : , : Oxford, [England], , 1989 |
| Descrizione fisica | 1 online resource (ix,333p. ) : ill |
| Disciplina | 530.4/1 |
| Collana | International Series of Monographs on Chemistry |
| Soggetto topico |
Electronic structure
Density functionals Quantum theory Quantum chemistry |
| ISBN |
0-19-756070-9
0-19-987872-2 9786610527700 0-19-535773-6 1-4294-0606-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 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 |
| Record Nr. | UNINA-9910809514103321 |
|
Parr Robert G. <1921->
|
||
| Oxford University Press ; ; Clarendon Press : , : New York, New York : , : Oxford, [England], , 1989 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||