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

• Κύριος συγγραφέας: Ratcliff, Laura (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Heidelberg : Springer International Publishing : Imprint: Springer, 2013.
• Σειρά: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Θέματα: Physics.; Atomic structure.; Molecular structure.; Spectra.; Solid state physics.; Optics.; Optoelectronics.; Plasmons (Physics).; Atomic/Molecular Structure and Spectra.; Solid State Physics.; Optics, Optoelectronics, Plasmonics and Optical Devices.

The 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 represen...

Πίνακας περιεχομένων:

• Density Functional Theory
• Linear-Scaling Methods
• Theoretical Spectroscopy
• Basis Sets and Band Structures
• Conduction States: Methods and Applications
• Results and Discussion.