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Book synopsis

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.

Book details

Book category Books in English Mathematics & science Chemistry Physical chemistry

• Full title: Multiconfigurational Quantum Chemistry
• Author: Bjorn Roos
• Language: English
• Binding: Hardback
• Number of pages: 240
• EAN: 9780470633465
• ISBN: 0470633468
• ID: 04884885
• Publisher: John Wiley & Sons Inc
• Weight: 504 g
• Dimensions: 163 × 243 × 20 mm
• Date of publishing: 05. August 2016

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