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1. |
Record Nr. |
UNINA990000371230403321 |
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Titolo |
Regolamentazione antincendio / a cura di Gioacchino Giomi |
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Pubbl/distr/stampa |
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Roma : EPC Editoria Professionale, c1995 |
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ISBN |
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Descrizione fisica |
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Collana |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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2. |
Record Nr. |
UNINA990008466340403321 |
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Autore |
Sembach, Klaus-Jürgen |
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Titolo |
Design di mobili del 20. secolo / Klaus-Jürgen Sembach, Gabriele Leuthäuser, Peter Gössel |
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Pubbl/distr/stampa |
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Köln : Benedikt Taschen, c1990 |
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ISBN |
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Altri autori (Persone) |
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Leuthäuser, Gabriele <1950- > |
Gössel, Peter <1956- > |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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3. |
Record Nr. |
UNINA990009477660403321 |
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Autore |
World Association for the Advancement of Veterinary Parasitology |
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Titolo |
Biology of parasites : emphasis on veterinary parasites : proceedings of the second International conference of the World association for the advancement of veterinary parasitology held at the University of Pennsylvania : Philadelphia, September 7th to 9th, 1965 in conjiunction with Bicentennial celebrations of medical education in the United States / edited by E. J. L. Soulsby ; contributors Don R. Arthur ... [et al.] |
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Pubbl/distr/stampa |
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New York [etc.] : Academic Press, 1966 |
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Descrizione fisica |
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XVI, 354 p. : ill. ; 24 cm |
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Materiale a stampa |
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Livello bibliografico |
Monografia |
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4. |
Record Nr. |
UNINA9910208845103321 |
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Autore |
Helgaker Trygve |
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Titolo |
Molecular electronic-structure theory / / Trygve Helgaker, Poul Jorgensen, Jeppe Olsen |
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Pubbl/distr/stampa |
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Chichester, England : , : John Wiley & Sons Ltd., , 2012 |
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©2000 |
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ISBN |
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1-119-01957-5 |
1-119-01955-9 |
1-119-01956-7 |
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Descrizione fisica |
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1 online resource (940 p.) |
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Disciplina |
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Soggetti |
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Molecular structure |
Electronic structure |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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Cover; Title Page; Copyright; Contents; Preface; Overview; Programs used in the preparation of this book; 1 Second Quantization; 1.1 The Fock space; 1.2 Creation and annihilation operators; 1.2.1 Creation operators; 1.2.2 Annihilation operators; 1.2.3 Anticommutation relations; 1.3 Number-conserving operators; 1.3.1 Occupation-number operators; 1.3.2 The number operator; 1.3.3 Excitation operators; 1.4 The representation of one- and two-electron operators; 1.4.1 One-electron operators; 1.4.2 Two-electron operators; 1.4.3 The molecular electronic Hamiltonian |
1.5 Products of operators in second quantization1.5.1 Operator products; 1.5.2 The canonical commutators; 1.6 First- and second-quantization operators compared; 1.7 Density matrices; 1.7.1 The one-electron density matrix; 1.7.2 The two-electron density matrix; 1.7.3 Density matrices in spin-orbital and coordinate representations; 1.8 Commutators and anti commutators; 1.9 Nonorthogonal spin orbitals; 1.9.1 Creation and annihilation operators; 1.9.2 One- and two-electron operators; 1.9.3 Biorthogonal operators; References; Further reading; Exercises; Solutions; 2 Spin in Second Quantization |
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2.1 Spin functions2.2 Operators in the orbital basis; 2.2.1 Spin-free operators; 2.2.2 Spin operators; 2.2.3 Mixed operators; 2.3 Spin tensor operators; 2.3.1 Spin tensor operators; 2.3.2 Creation and annihilation operators; 2.3.3 Two-body creation operators; 2.3.4 Excitation operators; 2.3.5 Singlet excitation operators; 2.4 Spin properties of determinants; 2.4.1 General considerations; 2.4.2 Spin projection of determinants; 2.4.3 Total spin of determinants; 2.5 Configuration state functions; 2.6 The genealogical coupling scheme; 2.6.1 Representations of determinants and CSFs |
2.6.2 Genealogical coupling2.6.3 Coupling coefficients; 2.6.4 An example: three electrons in three orbitals; 2.6.5 Completeness and orthonormality; 2.6.6 Transformations between determinant and CSF bases; 2.6.7 Genealogical coupling of operators; 2.7 Density matrices; 2.7.1 Orbital-density matrices; 2.7.2 Spin-density matrices; 2.7.3 Density functions; References; Further reading; Exercises; Solutions; 3 Orbital Rotations; 3.1 Unitary transformations and matrix exponentials; 3.1.1 Matrix exponentials; 3.1.2 Exponential representations of unitary matrices; 3.1.3 Special unitary matrices |
3.1.4 Orthogonal matrices3.1.5 Evaluation of matrix exponentials; 3.1.6 Nonunitary transformations; 3.2 Unitary spin-orbital transfonnations; 3.2.1 Unitary matrix expansions of creation and annihilation operators; 3.2.2 Exponential unitary transfonnations of the elementary operators; 3.2.3 Exponential unitary transfonnations of states in Fock space; 3.3 Symmetry-restricted unitary transfonnations; 3.3.1 The need for symmetry restrictions; 3.3.2 Symmetry restrictions in the spin-orbital basis; 3.3.3 Symmetry restrictions in the orbital basis; 3.4 The logarithmic matrix function |
3.4.1 Definition of the logarithmic matrix function |
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Sommario/riassunto |
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Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include:* Second quantization with spin adaptation* Gaussian basis sets and molecular-integral evaluation* H |
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