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Recent Progress In Orbital-free Density Functional Theory

This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory;

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Orbital Interaction Theory of Organic Chemistry

chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive;

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Multi-Component Molecular Orbital Theory

-component hybrid type density functional theory (MC_DFT). Using these multi-component procedure, the authors can analyse many chemical phenomena;

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Density Functional Theory and Its Application to Materials

An overview of the state of the art in density functional theory is presented. Not only the recent theoretical developments but also the;

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Time-Dependent Density-Functional Theory

-dependent current-density-functional theory, orbital functionals, and many-body theory. Many applications are discussed, including molecular;

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Density Functional Theory II

Density Functional Theory II is een boek van F. A. Buot;

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The Fundamentals of Density Functional Theory

The Fundamentals of Density Functional Theory is een boek van Helmut Eschrig;

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Relativistic Density Functional For Nuclear Structure

This book aims to provide a detailed introduction to the state-of-the-art covariant density functional theory, which follows the Lorentz;

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Density Functional Theory

Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate the electronic;

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New Horizons in Density Functional Theory

Density functional theory (DFT) is today's most widely used method for practical computational electronic structure calculations across;

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Nuclear Structure In China 2012 - Proceedings Of The 14th National Conference On Nuclear Structure In China

nuclei, unstable nuclei, density functional theory, neutron star and symmetry energy, nuclear matter, and nuclear shell model are covered.;

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Orbitals in Chemistry

of waves. This volume is a result of our attempt to establish a theory of chemistry in terms of orbitals - A Chemical Orbital Theory. The amplitude;

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Advances in Chemistry Research. Volume 54

the help of steady state and time-resolved measurements as well as density functional theory calculations.;

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Quantal Density Functional Theory II

In my original proposal to Springer for a book on Quantal Density Functional Theory, I had envisaged one that was as complete in its;

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Advances in Chemical Physics, Volume 144

discipline. Topics included in this volume include recent developments in classical density functional theory, nonadiabatic chemical dynamics;

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Theory of Itinerant Electron Magnetism

. Along with an introduction to the density functional theory, the book describes representative computational methods and detailed formulas for;

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Quantum Chemistry

matrix-vector methods of quantum mechanics as well as one on density functional theory along with molecular symmetry and group theory with;

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Density Functional Theory in Quantum Chemistry

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most;

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Recent Developments and Applications of Modern Density Functional Theory

The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic;

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Fundamentals of Inhomogeneous Fluids

display equations.;The contributors treat such subjects as: exact sum rules for inhomogenous fluids, explaining density functional and integral;

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Advanced Inorganic Chemistry

and semi-empirical approaches such as molecular orbital theory, ligand field theory and approximate methodologies like density functional;

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Quantum Theory

of density, condensation, and bonding. The book compiles, for the first time, the density functional theory with Bose-Einstein condensation and;

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Quantum Theory

of density, condensation, and bonding. The book compiles, for the first time, the density functional theory with Bose-Einstein condensation and;

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Theoretical & Computational Developments In Modern Density Functional Theory

of density functional theory (DFT). Ever since its inception, the theory has come a long way. Despite the fact that there are many disconcerting open;

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Density Functional Methods In Physics

Density Functional Methods In Physics is een boek van Reiner M. Dreizler;

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Orbital Disease

Summarizing discussions from the Vancouver Orbital Symposium, this reference assembles recent perspectives from world renowned orbital;

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Handbook of Computational Quantum Chemistry

orbital transformations; linear multi-determinant methods; core potentials; time-dependent perturbations; density functional theory; and;

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