0
Your cart

Your cart is empty

Books > Science & Mathematics > Physics > Nuclear structure physics

Buy Now

Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory (Paperback, 2013 ed.) Loot Price: R3,271
Discovery Miles 32 710
Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory (Paperback, 2013 ed.): Laura Ratcliff

Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory (Paperback, 2013 ed.)

Laura Ratcliff

Series: Springer Theses

 (sign in to rate)
Loot Price R3,271 Discovery Miles 32 710 | Repayment Terms: R307 pm x 12*

Bookmark and Share

Expected to ship within 10 - 15 working days

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 representation of occupied Kohn-Sham states but do not guarantee an accurate representation of the unoccupied states. This is problematic if one wishes to combine the power of LS-DFT with that of theoretical spectroscopy, which provides a direct link between simulation and experiment. In this work a new method is presented for optimizing localized functions to accurately represent the unoccupied states, thus allowing theoretical spectroscopy of large systems. Results are presented for optical absorption spectra calculated using the ONETEP code, but the method is equally applicable to other spectroscopies and LS formulations. Other topics covered include a study of some simple one dimensional basis sets and the presentation of two methods for band structure calculation using localized basis sets, both of which have important implications for the use of localized basis sets within LS-DFT.

General

Imprint: Springer International Publishing AG
Country of origin: Switzerland
Series: Springer Theses
Release date: June 2015
First published: 2013
Authors: Laura Ratcliff
Dimensions: 235 x 155 x 7mm (L x W x T)
Format: Paperback
Pages: 116
Edition: 2013 ed.
ISBN-13: 978-3-319-03373-0
Categories: Books > Science & Mathematics > Physics > Nuclear structure physics
Books > Professional & Technical > Electronics & communications engineering > Electronics engineering > Applied optics > General
Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry > Chemical spectroscopy, spectrochemistry > General
Promotions
LSN: 3-319-03373-5
Barcode: 9783319033730

Is the information for this product incomplete, wrong or inappropriate? Let us know about it.

Does this product have an incorrect or missing image? Send us a new image.

Is this product missing categories? Add more categories.

Review This Product

No reviews yet - be the first to create one!

You might also like..

Nuclear Density Functional Theory
I.Zh. Petkov, M.V. Stoitsov Hardcover R3,826 Discovery Miles 38 260
The Star Builders - Nuclear Fusion and…
Arthur Turrell Paperback R454 R424 Discovery Miles 4 240
Quantum Physics for Beginners - Discover…
Cyril Harris Hardcover R1,061 Discovery Miles 10 610
Recent Techniques and Applications in…
Ahmed M. Maghraby, Basim Almayyahi Hardcover R3,413 Discovery Miles 34 130
Multiscale Modeling of Vascular Dynamics…
Huilin Ye, Zhiqiang Shen, … Hardcover R1,660 Discovery Miles 16 600
Delayed Coincidence Spectroscopy of…
George Shipman Hardcover R2,279 Discovery Miles 22 790
Electrons in Solids - Contemporary…
Richard A. Dunlap Hardcover R1,771 Discovery Miles 17 710
Radiative Properties of Semiconductors
N.M. Ravindra, Sita Rajyalaxmi Marthi, … Hardcover R3,156 Discovery Miles 31 560
The Moessbauer Effect
Richard A. Dunlap Hardcover R1,633 Discovery Miles 16 330
Optics - The Science of Light
Paul Ewart Hardcover R1,647 Discovery Miles 16 470
Nuclear Science
Phiroz Dastoor, Kety Bhathena Hardcover R1,083 Discovery Miles 10 830
Halo Nuclei
Jim Al-Khalili Hardcover R3,148 Discovery Miles 31 480

See more

Partners