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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications

Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications

Cancès, Eric
Friesecke, Gero

Hardcover

Series: Mathematics and Molecular Modeling

ChemistryGeneral MathematicsPhysics

ISBN10: 303122339X
ISBN13: 9783031223396
Publisher: Springer Nature
Published: Jul 19 2023
Pages: 580
Weight: 2.23
Height: 1.31 Width: 6.14 Depth: 9.21
Language: English
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 spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2. DFT overcomes this problem by

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