Multiconfigurational quantum chemistry /
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...
| Main Authors: | , , , , |
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| Format: | eBook |
| Language: | English |
| Published: |
Hoboken, New Jersey :
Wiley,
2016.
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| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
| Summary: | 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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| Physical Description: | 1 online resource |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9781119126171 1119126177 9781119277873 1119277876 9781119277880 1119277884 0470633468 9780470633465 |