Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Quantum chemistry --- fysicochemie

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Quantum chemistry --- Chemical structure --- fysicochemie

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Quantum chemistry --- fysicochemie --- Chimie quantique --- 539.192 --- 530.145 --- #WSCH:AAS2 --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- General theory. Wave functions. Methods of solution --- Quantum chemistry. --- 530.145 Quantum theory --- 539.192 General theory. Wave functions. Methods of solution

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Quantum chemistry --- fysicochemie --- 530.145 --- 539.194 --- #WSCH:AAS2 --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Quantum chemistry. --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 530.145 Quantum theory --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc --- 544.18 --- 544.18 Quantum chemistry

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.

Density functionals --- Electronic structure --- Quantum chemistry --- Quantum theory --- Density functionals. --- Electronic structure. --- Quantum chemistry. --- Quantum theory. --- fysicochemie --- Atomic physics --- Chemical bonds. Valence --- Molecular physics --- 530.145 --- 539.194 --- #WSCH:AAS2 --- Structure, Electronic --- Atomic structure --- Energy-band theory of solids --- Density functional methods --- Density functional theory --- Functional methods, Density --- Functionals, Density --- Functional analysis --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 530.145 Quantum theory --- Quantum dynamics --- Quantum mechanics --- Quantum physics --- Physics --- Mechanics --- Thermodynamics --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Excited state chemistry --- Structure électronique --- Chimie quantique --- Théorie quantique --- Fonctionnelles densité --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc