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"Computer simulation is an indispensable research tool in modeling, understanding and predicting nanoscale phenomena. However, the advanced computer codes used by researchers are too complicated for graduate students wanting to understand computer simulations of physical systems. This book gives students the tools to develop their own codes. Describing advanced algorithms, the book is ideal for students in computational physics, quantum mechanics, atomic and molecular physics, and condensed matter theory. It contains a wide variety of practical examples of varying complexity to help readers at all levels of experience. An algorithm library in Fortran 90, available online at www.cambridge.org/9781107001701, implements the advanced computational approaches described in the text to solve physical problems"--

Nanostructures --- Physics --- Computer algorithms --- Physique --- Algorithmes --- Data processing --- Informatique --- Computer algorithms. --- Algorithms --- Nanoscience --- Data processing. --- Nanostructures - Data processing --- Physics - Data processing

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Computational chemistry methods have become increasingly important in recent years, as manifested by their rapidly extending applications in a large number of diverse fields. The ever-increasing size of the systems one wants to study leads to the development and application of methods, which provide satisfactory answers at a manageable computational cost. An important variety of computational techniques for large systems are represented by the linear-scaling techniques, that is, by methods where the computational cost scales linearly with the size of the system. This monograph is a collection of chapters, which report the state-of-the-art developments and applications of many important classes of linear-scaling methods. Linear-Scaling Techniques in Computational Chemistry and Physics: Methods and Applications serves as a handbook for theoreticians who are involved in the development of new and efficient computational methods as well as for scientists who use the tools of computational chemistry and physics in their research.

Chemistry -- Data processing. --- Chemistry -- Mathematics. --- Mathematical physics. --- Physics -- Data processing. --- Chemistry --- Physical Sciences & Mathematics --- Chemistry - General --- Physical & Theoretical Chemistry --- Scaling laws (Statistical physics) --- Ratio and proportion (Statistical physics) --- Scale invariance (Statistical physics) --- Scaling hypothesis (Statistical physics) --- Scaling phenomena (Statistical physics) --- Chemistry. --- Chemistry, Physical and theoretical. --- Physics. --- Theoretical and Computational Chemistry. --- Theoretical, Mathematical and Computational Physics. --- Physical laws --- Ranking and selection (Statistics) --- Statistical physics --- Physical sciences --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Physical mathematics --- Physics --- Mathematics

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This book encapsulates the coverage for a two-semester course in computational physics. The first part introduces the basic numerical methods while omitting mathematical proofs but demonstrating the algorithms by way of numerous computer experiments. The second part specializes in simulation of classical and quantum systems with instructive examples spanning many fields in physics, from a classical rotor to a quantum bit. All program examples are realized as Java applets ready to run in your browser and do not require any programming skills.

Electronic books. -- local. --- Mathematical physics. --- Physics -- Computer simulation. --- Physics -- Data processing. --- Physics --- Mathematical physics --- Engineering & Applied Sciences --- Physical Sciences & Mathematics --- Applied Physics --- Physics - General --- Data processing --- Computer simulation --- Data processing. --- Computer simulation. --- Physical mathematics --- Natural philosophy --- Philosophy, Natural --- Mathematics --- Physics. --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Computer mathematics. --- Statistical physics. --- Dynamical systems. --- Numerical and Computational Physics. --- Statistical Physics, Dynamical Systems and Complexity. --- Theoretical and Computational Chemistry. --- Computational Mathematics and Numerical Analysis. --- Physical Chemistry. --- Physical sciences --- Dynamics --- Chemistry. --- Computer science --- Chemistry, Physical organic. --- Numerical and Computational Physics, Simulation. --- Complex Systems. --- Statistical Physics and Dynamical Systems. --- Mathematics. --- Mathematical statistics --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Computer mathematics --- Discrete mathematics --- Electronic data processing --- Statistical methods --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Dynamical systems --- Kinetics --- Mechanics, Analytic --- Force and energy --- Mechanics --- Statics --- Dynamics.