Optical absorption spectra calculated using linear-scaling density-functional theory
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...
| Main Author: | Ratcliff, Laura. |
|---|---|
| Other Authors: | SpringerLink (Online Service) |
| Format: | eBook |
| Language: | English |
| Published: |
Cham ; New York :
Springer,
©2013.
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| Physical Description: |
1 online resource. |
| Series: |
Springer theses.
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| Subjects: |
CMU Electronic Access
Electronic Resource Click Here| Location | Call Number: | Status |
|---|---|---|
| CMU Electronic Access | Available |