Density Functionals: Theory and Applications

Density functional theory. Principles, a

📁 Density functional theory. Principles, applications and analysis

✍ Morin, Joseph; Pelletier, Jean Marie (eds.) 📂 Library 📅 2013 🏛 Nova Science Publishers 🌐 English

Density Functional Theory: Principles, A

📁 Density Functional Theory: Principles, Applications and Analysis

✍ Joseph Morin (ed.), Jean Marie Pelletier (ed.) 📂 Library 📅 2013 🏛 Nova Science Publishers 🌐 English

Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. This book provides current research in the st

Time-Dependent Density-Functional Theory

📁 Time-Dependent Density-Functional Theory: Concepts and Applications

✍ Carsten Ullrich 📂 Library 📅 2012 🏛 Oxford University Press 🌐 English

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, wit

Chemical Applications of Density-Functio

📁 Chemical Applications of Density-Functional Theory

✍ Brian B. Laird, Richard B. Ross, and Tom Ziegler (Eds.) 📂 Library 📅 1996 🏛 American Chemical Society 🌐 English

Content: Density-functional methods in chemistry : an overview / Brian B. Laird, Richard B. Ross, and Tom Ziegler -- Effective one-electron potential in the Kohn-Sham molecular orbital theory / Evert Jan Baerends, Oleg V. Gritsenko, and Robert van Leeuwen -- Conventional quantum chemi

Density Functional Theory: Advances in A

📁 Density Functional Theory: Advances in Applications

📂 Library 📅 2018 🏛 De Gruyter 🌐 English

DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering. <li>Providing a thorough overview o

Density Functional Theory: Advances in A

📁 Density Functional Theory: Advances in Applications

📂 Library 📅 2018 🏛 De Gruyter 🌐 English

DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering. <li>Providing a thorough overview o