Second Quantized Approach to Quantum Chemistry
Autor Peter R. Surjanen Limba Engleză Paperback – 13 dec 2011
Preț: 505.72 lei
Preț vechi: 594.96 lei
-15%
Puncte Express: 759
Carte tipărită la comandă
Livrare economică 17-31 iulie
Livrare prin curier în România Termenul estimat este afișat lângă disponibilitate.
Transport gratuit pentru acest produs Plată online sau ramburs, în funcție de opțiunile comenzii.
Retur gratuit în 14 zile Comandă securizată și suport în română.
Specificații
ISBN-13: 9783642747571
ISBN-10: 3642747574
Pagini: 204
Ilustrații: XIII, 184 p.
Dimensiuni: 155 x 235 x 12 mm
Greutate: 0.32 kg
Ediția:Softcover reprint of the original 1st ed. 1989
Editura: Springer
Locul publicării:Berlin, Heidelberg, Germany
ISBN-10: 3642747574
Pagini: 204
Ilustrații: XIII, 184 p.
Dimensiuni: 155 x 235 x 12 mm
Greutate: 0.32 kg
Ediția:Softcover reprint of the original 1st ed. 1989
Editura: Springer
Locul publicării:Berlin, Heidelberg, Germany
Public țintă
ResearchCuprins
1 Introduction.- 1.1 Importance of Second Quantization.- 1.2 The One-Electron Model.- 2 Concept of Creation and Annihilation Operators.- 2.1 The Vacuum State.- 2.2 Creating Electrons.- 2.3 Particle Number Representation.- 2.4 Annihilating Electrons.- 2.5 Commutator Relation between Creation and Annihilation Operators.- 2.6 The Adjoint Relation — Role of Orthogonality of One-Particle States.- 2.7 Summary of the Properties of Creation/Annihilation Operators.- 3 Particle Number Operators.- 4 Second Quantized Representation of Quantum Mechanical Operators.- 4.1 General.- 4.2 One-Electron Operators.- 4.3 Two-Electron Operators.- 4.4 Second Quantized Form of the Born-Oppenheimer Hamiltonian.- 4.5 Hermiticity of Second Quantized Operators.- 5 Evaluation of Matrix Elements.- 5.1 Basic Matrix Elements.- 5.2 Concept of the Fermi Vacuum.- 6 Advantages of Second Quantization — Illustrative Examples.- 6.1 General.- 6.2 Overlap of two Determinants.- 6.3 Hückel Energy Expression.- 6.4 Interaction of Two Electrons.- 7 Density Matrices.- 7.1 First-Order Density Matrix.- 7.2 Second-Order Density Matrix.- 7.3 Hartree-Fock Energy Expression.- 8 Connection to “Bra and Ket” Formalism.- 9 Using Spatial Orbitals.- 10 Some Model Hamiltonians in Second Quantized Form.- 10.1 ?-Electron Hamiltonians.- 10.2 Particle-Hole Symmetry.- 10.3 All-Valence Electron Hamiltonians.- 10.4 The Hartree-Fock Hamiltonian.- 11 The Brillouin Theorem.- 12 Many-Body Perturbation Theory.- 13 Second Quantization for Nonorthogonal Orbitals.- 13.1 Anticommutation Rules.- 13.2 The Hamiltonian in Nonorthogonal Representations.- 13.3 Extended Hückel Theory.- 14 Second Quantization and Hellmann-Feynman Theorem.- 14.1 General.- 14.2 Variation of Energy-Orthogonal Basis Set.- 14.3 Variation of Energy-NonorthogonalBasis Set.- 14.4 Special Case: The SCF Gradient Formula.- 15 Intermolecular Interactions.- 15.1 The Operator for Interaction.- 15.2 Symmetry-Adapted Perturbation Theory.- 16 Quasiparticle Transformations.- 16.1 One-Particle Transformations.- 16.2 Two-Particle Transformations.- 16.3 A Theory of the Local Chemical Bond.- 17 Miscellaneous Topics Related to Second Quantization.- 17.1 Spin Operators and Spin Hamiltonians.- 17.2 Unitary Group Approach.- 18 Problem Solutions.- 19 References.