Density Functional Theory I: Functionals and Effective Potentials (Topics in Current Chemistry, Volume 180)

Density Functional Theory I: Functionals

📁 Density Functional Theory I: Functionals and Effective Potentials

✍ Matthias Ernzerhof, John P. Perdew, Kieron Burke (auth.), Prof. R. F. Nalewajski 📂 Library 📅 1996 🏛 Springer-Verlag Berlin Heidelberg 🌐 English

Contents: Forewords by Professor R.G. Parr and Professor W. Kohn.- M. Ernzerhof, J.P. Perdew, K. Burke, Density Functionals:Where Do They Come From, Why Do TheyWork?- D.J.W. Geldart, Nonlocal Engergy Functionals:GradientExpansions andBeyond<

Density Functional Theory I: Functionals

📁 Density Functional Theory I: Functionals and Effective Potentials

✍ Matthias Ernzerhof, John P. Perdew, Kieron Burke (auth.), Prof. R. F. Nalewajski 📂 Library 📅 1996 🏛 Springer-Verlag Berlin Heidelberg 🌐 English

Contents: Forewords by Professor R.G. Parr and Professor W. Kohn.- M. Ernzerhof, J.P. Perdew, K. Burke, Density Functionals:Where Do They Come From, Why Do TheyWork?- D.J.W. Geldart, Nonlocal Engergy Functionals:GradientExpansions andBeyond<

Density Functional Theory in Quantum Che

📁 Density Functional Theory in Quantum Chemistry

✍ Takao Tsuneda (auth.) 📂 Library 📅 2014 🏛 Springer Japan 🌐 English

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodo

Density functional theory in quantum che

📁 Density functional theory in quantum chemistry

✍ Takao Tsuneda (auth.) 📂 Library 📅 2014 🏛 Springer Japan 🌐 English

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodo

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

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

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 I: Functionals and Effective Potentials (Topics in Current Chemistry, Volume 180)

✦ Synopsis

✦ Table of Contents