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#### Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory

Springer International Publishing 2013; Not AvailableThe development of linear-scaling density functional theory (LS-DFT) has made ab initio calculations on systems containing thousands of atoms possible. These systems range from nanostructures to biomolecules. These methods rely on the use of localized basis sets, which are optimised for the representation of occupied Kohn-Sham states but do not guarantee... more...

#### From Atom Optics to Quantum Simulation

Springer Berlin Heidelberg 2012; Not AvailableThis remarkable volume showcases the latest advances in a rapidly growing field of research. The author?s treatment of ultracold quantum gases of bosonic and fermionic atoms in optical lattices includes new insights into the nature of ultracold quantum matter. more...

#### Time-Dependent Density-Functional Theory

OUP Oxford 2011; US$ 82.99Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT. more...

#### Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems

Springer Berlin Heidelberg 2011; Not AvailableIn this outstanding work, the author shows how non-orthogonal representations for electronic states can be used to construct corrective projections and, furthermore, how DFT+U may be implemented with a linearly increasing cost with respect to system size. more...

#### Density Functional Theory

Wiley 2011; US$ 115.95Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are... more...

#### Density Functional Theory

Springer Berlin Heidelberg 2011; US$ 129.00This rigorous introduction to the foundations of density functional theory includes both formal and quantitative results. It covers the topic up to and including complex issues such as orbital-dependent functionals and both time-dependent and relativistic DFT. more...

#### Computational Quantum Mechanics for Materials Engineers

Springer London 2007; US$ 259.00Forcenturies,composersandmusicianssuccessfullycomplementedeachother. Composers provided humanity with superb compositions, and musicians have been making attempts to vivify the mysterious staves. Great performances, thosethatmanagedtocreatetheexpectedorsometimesunexpectedemotions, always captivated the audience and broke fresh ground for new artworks.... more...

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