Computational Modelling of Molecular Nanomagnets [E-Book] / edited by Gopalan Rajaraman.
This book summarizes the state-of-the-art advances in the area of computational modelling of molecule-based magnets. Nowadays, various computational tools based on DFT, ab initio methods and other techniques are gaining attention in molecular nanomagnets and are successfully used to solve several ou...
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Full text |
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Personal Name(s): | Rajaraman, Gopalan, editor |
Edition: |
1st edition 2023. |
Imprint: |
Cham :
Springer,
2023
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Physical Description: |
XII, 499 pages 181 illustrations, 172 illustrations in color (online resource) |
Note: |
englisch |
ISBN: |
9783031310386 |
DOI: |
10.1007/978-3-031-31038-6 |
Series Title: |
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Challenges and Advances in Computational Chemistry and Physics ;
34 |
Subject (LOC): |
- Ab initio investigation of anisotropic magnetism and magnetization blocking in metal complexes
- Analytical derivations for the description of magnetic anisotropy in transition metal complexes
- Calculations of Magnetic Exchange in Multinuclear Compounds
- Exact diagonalization techniques for quantum spin systems
- Modeling magnetic properties of actinide complexes
- Spin-Phonon Relaxation in Magnetic Molecules: Theory, Predictions and Insights
- Ab initio Modelling of Lanthanide Based Molecular Magnets: Where to from Here?
- Molecular Magnets on Surfaces: in silico recipes for a successful marriage
- Theoretical Approaches for Electron Transport through Magnetic Molecules.