A Primer in Density Functional Theory
A Primer in Density Functional Theory [electronic resource] /
edited by Carlos Fiolhais, Fernando Nogueira, Miguel A. L. Marques.
- XIII, 258 p. online resource.
- Lecture Notes in Physics, 620 0075-8450 ; .
- Lecture Notes in Physics, 620 .
Density Functionals for Non-relativistic Coulomb Systems in the New Century -- Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals -- Relativistic Density Functional Theory -- Time-Dependent Density Functional Theory -- Density Functional Theories and Self-energy Approaches -- A Tutorial on Density Functional Theory.
Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.
9783540370727
10.1007/3-540-37072-2 doi
Chemistry.
Quantum theory.
Theoretical, Mathematical and Computational Physics.
Theoretical and Computational Chemistry.
Quantum Physics.
Atomic/Molecular Structure and Spectra.
Condensed Matter Physics.
QC19.2-20.85
530.1
Density Functionals for Non-relativistic Coulomb Systems in the New Century -- Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals -- Relativistic Density Functional Theory -- Time-Dependent Density Functional Theory -- Density Functional Theories and Self-energy Approaches -- A Tutorial on Density Functional Theory.
Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.
9783540370727
10.1007/3-540-37072-2 doi
Chemistry.
Quantum theory.
Theoretical, Mathematical and Computational Physics.
Theoretical and Computational Chemistry.
Quantum Physics.
Atomic/Molecular Structure and Spectra.
Condensed Matter Physics.
QC19.2-20.85
530.1