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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Density Functional Theory - An Advanced Course (Hardcover, 2011 ed.)
Loot Price: R4,029
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Density Functional Theory - An Advanced Course (Hardcover, 2011 ed.)
Series: Theoretical and Mathematical Physics
Expected to ship within 10 - 15 working days
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Density Functional Theory (DFT) has firmly established itself as
the workhorse for atomic-level simulations of condensed phases,
pure or composite materials and quantum chemical systems. This work
offers a rigorous and detailed introduction to the foundations of
this theory, up to and including such advanced topics as
orbital-dependent functionals as well as both time-dependent and
relativistic DFT. Given the many ramifications of contemporary DFT,
the text concentrates on the self-contained presentation of the
basics of the most widely used DFT variants: this implies a
thorough discussion of the corresponding existence theorems and
effective single particle equations, as well as of key
approximations utilized in implementations. The formal results are
complemented by selected quantitative results, which primarily aim
at illustrating the strengths and weaknesses of particular
approaches or functionals. The structure and content of this book
allow a tutorial and modular self-study approach: the reader will
find that all concepts of many-body theory which are indispensable
for the discussion of DFT - such as the single-particle Green's
function or response functions - are introduced step by step, along
with the actual DFT material. The same applies to basic notions of
solid state theory, such as the Fermi surface of inhomogeneous,
interacting systems. In fact, even the language of second
quantization is introduced systematically in an Appendix for
readers without formal training in many-body theory.
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