Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications -
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Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spati ... Full description
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Description
Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.
More Information
| Publisher | Springer Nature Switzerland |
|---|---|
| Series | Mathematics and Molecular Modeling |
| Release year | 2023 |
| Cover type | Hardcover |
| EAN | 9783031223396 |