Introduction to the Quantum World of Atoms and MoleculesWorld Scientific, 2001 - 460 páginas This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree?Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text. |
Contenido
Chapter 2 | 21 |
The Birth of Quantum Mechanics | 22 |
Wave Mechanics | 51 |
20 | 57 |
Particle in a | 81 |
QuantumMechanical Operators | 93 |
93 | 112 |
165 | 128 |
The Periodic Table by Electron Counting | 246 |
Atomic Terms Wavefunctions and Energies | 367 |
Electronic Terms of Diatomic Molecules | 388 |
The HartreeFock Method | 396 |
DensityFunctional Theory | 412 |
A Complex Numbers and Quantum Mechanics | 426 |
Curvilinear Coordinate Systems | 434 |
Surface Spherical Harmonics and Special Functions | 440 |
The Central Field Problem | 165 |
The Hydrogen Atom | 166 |
The Spinning Electron | 218 |
Otras ediciones - Ver todas
Introduction to the Quantum World of Atoms and Molecules Jens Peder Dahl Sin vista previa disponible - 2001 |
Términos y frases comunes
angular momentum arbitrary atomic orbitals basis Bohr bra-ket notation Broglie c₁ central-field problem chapter classical mechanics coefficients commutation relations condition conjugate consider constant coordinates corresponding curves defined degeneracy derived diatomic molecule differential equation discussion eigenfunctions eigenvalue electromagnetic electron configuration energy levels evaluate expectation value expression free particle function space gives ground-state ħ² Hamiltonian harmonic oscillator Hartree-Fock hence Hermitian conjugate Hermitian operators hydrogen atom hydrogen-like atom β integral linearly independent magnetic many-electron mass matrix molecular motion normalized to unity notation nucleus obtained one-dimensional box orbital orthogonal orthonormal photon physicist polynomial probability density quantity quantum mechanics quantum number radial functions result shows Slater determinants so-called solve spherical harmonics spin function spin-orbitals stationary surface spherical harmonics term theorem theory vanish vector wave packet wavefunction wavelength write zero მყ