3 recherche sur le tag 'SOLIDS'   

Computational methods for large molecules and localized states in solids / F. Herman

Public ISBD Titre : Computational methods for large molecules and localized states in solids : proceedings of a symposium, held May 15-17, 1972, at the IBM research laboratory, San Jose, California Type de document : texte imprimé Auteurs : F. Herman, Éditeur scientifique ; A. D. McLean, Éditeur scientifique ; R. K. Nesbet, Auteur Editeur : New-York : Plenum Press Année de publication : 1973 Importance : xii, 396 p. ISBN/ISSN/EAN : 978-0-306-30716-4 Langues : Anglais (eng) Catégories : Chimie théorique Tags : QUANTUM CHEMISTRY-Congresses  SOLIDS Note de contenu : "Welcoming remarks * Scientific challenges * Introductory remarks; Quantum chemistry; Theory of geometries and energies of small molecules; Organic transition states; Solid state concepts in radiation chemistry and biology; Molecular modeling by computer * Scientific challenge; Introductory remarks; Structural characteristics and electronic states of hemoglobin; Molecular theory of nucleation * Computational methods; Approximations for large-molecule calculations; Ab initio computation of molecular structures through configuration interaction; Approximate methods in quantum chemistry; Icao-mo cluster model for localized states in covalent solids; Description of molecules in terms of localized orbitals * Computational methods; Introductory remarks, The scf-x? Scattered-wave method; The orbital correction method; Panel discussion on computational methods; Ab initio SCF calculations of the carbazole and 2,4,7-trinitro-9-fluorenone (tnf) molecules * Localized states and disordered solids; Surface states and leed; Wannier functions; Developments in localized pseudopotential methods; Localized defects in semiconductors; Transmission of electrons through a disordered array of potentials * Localized states and disordered solids; Introductory remarks; Electronic structure of amorphous semiconductors; Some polytypes of germanium and a tight binding model for the electronic structure of amorphous solids; Coexistence of localized and extended states?; Cluster scattering in amorphous semiconductors and liquid metals; Properties of localized states in disordered materials; Banquet speech; Are there cults of theoreticians? * Symposium summary;Summary and concluding remarks;List of contributors." Cote : B-H028 (SdS) Num_Inv : 407 Computational methods for large molecules and localized states in solids : proceedings of a symposium, held May 15-17, 1972, at the IBM research laboratory, San Jose, California [texte imprimé] / F. Herman, Éditeur scientifique ; A. D. McLean, Éditeur scientifique ; R. K. Nesbet, Auteur . - New-York : Plenum Press, 1973 . - xii, 396 p. ISBN : 978-0-306-30716-4 Langues : Anglais (eng) Catégories : Chimie théorique Tags : QUANTUM CHEMISTRY-Congresses  SOLIDS Note de contenu : "Welcoming remarks * Scientific challenges * Introductory remarks; Quantum chemistry; Theory of geometries and energies of small molecules; Organic transition states; Solid state concepts in radiation chemistry and biology; Molecular modeling by computer * Scientific challenge; Introductory remarks; Structural characteristics and electronic states of hemoglobin; Molecular theory of nucleation * Computational methods; Approximations for large-molecule calculations; Ab initio computation of molecular structures through configuration interaction; Approximate methods in quantum chemistry; Icao-mo cluster model for localized states in covalent solids; Description of molecules in terms of localized orbitals * Computational methods; Introductory remarks, The scf-x? Scattered-wave method; The orbital correction method; Panel discussion on computational methods; Ab initio SCF calculations of the carbazole and 2,4,7-trinitro-9-fluorenone (tnf) molecules * Localized states and disordered solids; Surface states and leed; Wannier functions; Developments in localized pseudopotential methods; Localized defects in semiconductors; Transmission of electrons through a disordered array of potentials * Localized states and disordered solids; Introductory remarks; Electronic structure of amorphous semiconductors; Some polytypes of germanium and a tight binding model for the electronic structure of amorphous solids; Coexistence of localized and extended states?; Cluster scattering in amorphous semiconductors and liquid metals; Properties of localized states in disordered materials; Banquet speech; Are there cults of theoreticians? * Symposium summary;Summary and concluding remarks;List of contributors." Cote : B-H028 (SdS) Num_Inv : 407

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
407	B-H028	Texte imprimé	Bibliothèque	Livre	Disponible

Group theory in solid-state physics / Arthur P. Cracknell

Public ISBD Titre : Group theory in solid-state physics Type de document : texte imprimé Auteurs : Arthur P. Cracknell, Auteur Editeur : Abingdon [England] : Taylor & Francis Année de publication : 1975 Importance : viii, 204 p. Présentation : ill. ISBN/ISSN/EAN : 978-0-85066-090-6 Langues : Anglais (eng) Catégories : Chimie théorique Tags : SOLIDS  GROUPS  SOLID STATE PHYSICS Index. décimale : B-H Résumé : This monograph is intended to give the reader an appreciation of the current state of the various applications of group theory in solid-state physics. Some of these applications are already well-established and are adequately described in existing literature. Therefore only the general principles of these applications are discussed with cross-references to sources of information. The main intention of this book is to describe the many new developments in this field which have taken place in recent years. Group theory has come to be applied to many types of problems in solid-state physics, the applications of which have not been discussed extensively in the existing review and textbook literature on the subject. The treatment is not restricted of the use of the classical point groups and space groups but, where magnetic ordering is important, the appropriate generalized symmetry groups are used. Cote : B-H056 (SdS) Num_Inv : 1885 Group theory in solid-state physics [texte imprimé] / Arthur P. Cracknell, Auteur . - Abingdon [England] : Taylor & Francis, 1975 . - viii, 204 p. : ill. ISBN : 978-0-85066-090-6 Langues : Anglais (eng) Catégories : Chimie théorique Tags : SOLIDS  GROUPS  SOLID STATE PHYSICS Index. décimale : B-H Résumé : This monograph is intended to give the reader an appreciation of the current state of the various applications of group theory in solid-state physics. Some of these applications are already well-established and are adequately described in existing literature. Therefore only the general principles of these applications are discussed with cross-references to sources of information. The main intention of this book is to describe the many new developments in this field which have taken place in recent years. Group theory has come to be applied to many types of problems in solid-state physics, the applications of which have not been discussed extensively in the existing review and textbook literature on the subject. The treatment is not restricted of the use of the classical point groups and space groups but, where magnetic ordering is important, the appropriate generalized symmetry groups are used. Cote : B-H056 (SdS) Num_Inv : 1885

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
1885	B-H056	Texte imprimé	Bibliothèque	Livre	Consultation sur place Exclu du prêt

Solid surfaces: Proceedings of the International Conference on the Physics and Chemistry of Solid Surfaces (Providence, June 1964) / Harry C. Gatos

Public ISBD Titre : Solid surfaces: Proceedings of the International Conference on the Physics and Chemistry of Solid Surfaces (Providence, June 1964) Type de document : texte imprimé Auteurs : Harry C. Gatos, Éditeur scientifique ; Brown University, Collectivité éditrice Editeur : Amsterdam : North-Holland Publishing Company Année de publication : 1964 Importance : ix, 577 p. Langues : Anglais (eng) Catégories : Matériaux Tags : SURFACE CHEMISTRY  SOLIDS Index. décimale : B-G Note de contenu : "* Surface states * Electron and photon transport at surfaces * Atomic and molecular events at the solid-gas interface * Surface thermodynamics and kinetics * Electron emission and reflection * Electrochemical properties of solid-liquid interface * Atomic structure of crystal surfaces." Cote : B-G013 (SdS) Num_Inv : 2681 Solid surfaces: Proceedings of the International Conference on the Physics and Chemistry of Solid Surfaces (Providence, June 1964) [texte imprimé] / Harry C. Gatos, Éditeur scientifique ; Brown University, Collectivité éditrice . - Amsterdam : North-Holland Publishing Company, 1964 . - ix, 577 p. Langues : Anglais (eng) Catégories : Matériaux Tags : SURFACE CHEMISTRY  SOLIDS Index. décimale : B-G Note de contenu : "* Surface states * Electron and photon transport at surfaces * Atomic and molecular events at the solid-gas interface * Surface thermodynamics and kinetics * Electron emission and reflection * Electrochemical properties of solid-liquid interface * Atomic structure of crystal surfaces." Cote : B-G013 (SdS) Num_Inv : 2681

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
2681	B-G013	Texte imprimé	Bibliothèque	Livre	Disponible