Ideas of Quantum Chemistry (3rd Ed.) Volume 1: From Quantum Physics to Chemistry
Auteur : Piela Lucjan
Ideas of Quantum Chemistry, Volume One: From Quantum Physics to Chemistry shows how quantum mechanics is applied to molecular sciences to provide a theoretical foundation. Organized into digestible sections and written in an accessible style, it answers questions, highlighting the most important conclusions and essential mathematical formulae. Beginning with an introduction to the magic of quantum mechanics, the book goes on to review such key topics as the Schrödinger Equation, exact solutions, and fundamental approximate methods. The crucial concept of molecular shape is then discussed, followed by the motion of nuclei and the orbital model of electronic structure.
This updated volume covers the latest developments in the field and can be used either on its own as a detailed introduction to quantum chemistry or in combination with Volume Two to give a complete overview of the field.
2. The Schrödinger Equation
3. Beyond the Schrödinger Equation
4. Exact Solutions - Our Beacons
5. Two Fundamental Approximate Methods
6. The Crucial Concept of Molecular Shape
7. Motion of Nuclei
8. Orbital Model of Electronic Structure: Atoms and Molecules
- Provides fully updated coverage on an extensive range of both foundational and complex topics
- Uses an innovative structure to emphasize relationships between topics and help readers tailor their own path through the book
- Includes new sections on Time-Energy Uncertainty and Virial Theorem
Date de parution : 01-2020
Ouvrage de 795 p.
19x23.3 cm
Thèmes d’Ideas of Quantum Chemistry :
Mots-clés :
adiabatic approximation; antimatter; Berry phase; bispinors; Born–Oppenheimer approximation; bound state; Breit equation; Car–Parrinello algorithm; cellular automaton; chemical bond; clamped nuclei Hamiltonian; closed and open shell; conical intersection; Dirac equation; Dirac–Coulomb model; electron spin; electronic energy; electronic-vibrational-rotational spectroscopy; enantiomers; energy-time uncertainty; Fermi Golden Rule; force field; Hartree–Fock method; HOMO and LUMO; hybridization; Hylleraas variational principle; kinetic balance; Klein–Gordon equation; Langevin dynamics; Lorentz transformation; Metropolis algorithm; molecular dynamics; molecular mechanics; molecular structure; Monte Carlo dynamics; normal modes; orbital; perturbational method; radiative corrections; rotational energy; Slater determinant; spin; stationary state; time evolution operator; two-state model; UV-VIS spectrum; vibrational energy; wave function evolution