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Density Functional Theory and Its Application to Materials

construction of exchange-correlation functionals used in density functional theory for ground and excited states are presented. Applications to;

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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

practical application quickly and effectively. It focuses on the following four themes: New density-functional approximations and beyond;

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Materials Modelling Using Density Functi

in the Schroedinger equation of quantum mechanics, and powered by density functional theory. This book is intended for senior undergraduate;

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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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Computational Chemistry Methodology in Structural Biology and Materials Sciences

to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry;

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Computational Chemistry Methodology in Structural Biology and Materials Sciences

to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry;

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Conceptual Density Functional Theory and Its Application in the Chemical Domain

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It;

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Conceptual Density Functional Theory and Its Application in the Chemical Domain

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It;

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Relativistic Density Functional For Nuclear Structure

properties and phenomena with great success.In order to provide an advanced and updated textbook of covariant density functional theory for graduate;

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Computing the Optical Properties of Large Systems

density-functional theory. This extends the range of TDDFT, which on its own cannot tackle many of the large and interesting systems in materials;

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Multiscale Modeling

the actual application. The book considers the use of ab initio and density functional theory to obtain parameters needed for larger scale;

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Advances in Materials Science Research

bioceramics; eco-friendly epoxy thermosets; polymer materials for advanced optical applications; Density Functional Theory (DFT) studies of metal;

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Density Functional Theory II

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

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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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The Fundamentals of Density Functional Theory

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

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Electron Density and Bonding in Crystals

discusses theoretical and practical techniques, the application of electron density studies to chemical bonding, and the determination of the;

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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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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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Uncertainty Quantification in Multiscale Materials Modeling

) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ;

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Ferroelectrics

dielectric physics. Ferroelectric materials are important functional materials for various applications such as NVRAMs, high energy density;

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Functional Materials for Sustainable Energy Applications

in the science and technology of materials, applications based on functional materials are becoming increasingly important. Functional materials;

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Ground state properties and excitation spectrum of correlated electron systems

Electron gas theory is one of the broadest fields in theoretical condensed matter physics, and even its most elementary application to the;

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Statistical Mechanics Of Phases, Interfaces And Thin Films

unified approach to the theory of phases and their interfaces and on the density functional theory that unification is based on.;

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A Chemists Guide to Density Functional Theory

clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications;

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Variational Methods in Molecular Modeling

, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo;

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Electronic Structure

understanding each essential component. New in the second edition are recent advances in density functional theory, an introduction to Berry phases and;

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