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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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The Augmented Spherical Wave Method - A Comprehensive Treatment (Paperback, 2nd ed. 2013)
Loot Price: R2,407
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The Augmented Spherical Wave Method - A Comprehensive Treatment (Paperback, 2nd ed. 2013)
Series: Lecture Notes in Physics, 849
Expected to ship within 18 - 22 working days
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The Augmented Spherical Wave (ASW) method is one of the most
powerful approaches to handle the requirements of finite basis sets
in DFT calculations. It is particularly suited for the calculation
of the electronic, magnetic, and optical properties of solid-state
materials. Recent developments allow application, in addition, to
the elastic properties and phonon spectra. Due to the localized
nature of the ASW basis set these properties can be easily
interpreted in terms of atomic-like orbitals. The book addresses
all those who want to learn about methods for electronic structure
calculations and the ASW method in particular. This new edition has
been thoroughly revised and extended. In particular, a chapter on
the new, both very efficient and accurate spherical-wave based full
potential ASW method has been added.
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