Density functional theory. Principles, applications and analysis

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

Density Functionals: Theory and Applicat

📁 Density Functionals: Theory and Applications

✍ Daniel Joubert 📂 Library 📅 2002 🏛 Springer 🌐 English

Density Functional Theory : Modeling, Ma

📁 Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications

✍ Eric Cancès; Gero Friesecke 📂 Library 🏛 Springer International Publishing 🌐 English

Principles and Applications of Density F

📁 Principles and Applications of Density Functional Theory in Inorganic Chemistry II

✍ N. Kaltsoyannis, J.E. McGrady (auth.) 📂 Library 📅 2004 🏛 Springer-Verlag Berlin Heidelberg 🌐 English

Principles and Applications of Density F

📁 Principles and Applications of Density Functional Theory in Inorganic Chemistry I

✍ N. Kaltsoyannis, J.E. McGrady (auth.) 📂 Library 📅 2004 🏛 Springer-Verlag Berlin Heidelberg 🌐 English

<P>J. Autschbach: The Calculation of NMR Parameters in Transition Metal Complexes.- A. Rosa, G. Ricciardi, O. Gritsenko, E.J. Baerends: Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- G. Ujaque, F. Maseras: Applications of Hybrid DFT/Molecular Mechanics to Homo

Principles and Applications of Density F

📁 Principles and Applications of Density Functional Theory in Inorganic Chemistry I

✍ N. Kaltsoyannis, J.E. McGrady (auth.) 📂 Library 📅 2004 🏛 Springer-Verlag Berlin Heidelberg 🌐 English

<P>J. Autschbach: The Calculation of NMR Parameters in Transition Metal Complexes.- A. Rosa, G. Ricciardi, O. Gritsenko, E.J. Baerends: Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- G. Ujaque, F. Maseras: Applications of Hybrid DFT/Molecular Mechanics to Homo

Density functional theory. Principles, applications and analysis

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