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Multiconfigurational Quantum Chemistry (Hardcover)
Loot Price: R2,987
Discovery Miles 29 870
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Multiconfigurational Quantum Chemistry (Hardcover)
Expected to ship within 12 - 17 working days
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The first book to aid in the understanding of multiconfigurational
quantum chemistry, Multiconfigurational Quantum Chemistry
demystifies a subject that has historically been considered
difficult to learn. Accessible to any reader with a background in
quantum mechanics and quantum chemistry, the book contains
illustrative examples showing how these methods can be used in
various areas of chemistry, such as chemical reactions in ground
and excited states, transition metal and other heavy element
systems. The authors detail the drawbacks and limitations of DFT
and coupled-cluster based methods and offer alternative,
wavefunction-based methods more suitable for smaller molecules.
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