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Modern Methods and Algorithms of Quantum Chemistry
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Modern Methods and Algorithms of Quantum Chemistry
by


File Type :PDF
Number of Pages :638

Description
This book covers the following topics: Density functional theory, Ab initio molecular dynamics, Post-Hartree-Fock methods, Molecular properties, Heavy-element chemistry, Linear scaling approaches, Semiempirical and hybrid methods, Parallel programming models and tools, Numerical techniques and automatic differentiation, Industrial applications.
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