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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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Conceptual Perspectives in Quantum Chemistry

in 1995. This third volume contains 14 papers covering topics such as recent developments in multiple scattering theory and density functional;

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Quantum Theory

level of studies: Part I: Primer Density Functional Theory is suitable for undergraduate introductory courses in physics, chemistry, and the;

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Quantum Theory

level of studies: Part I: Primer Density Functional Theory is suitable for undergraduate introductory courses in physics, chemistry, and the;

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Principles and Applications of Quantum Chemistry

bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT;

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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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Mathematical Physics in Theoretical Chemistry

include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the;

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Conceptual Trends in Quantum Chemistry

of nuclear from electron motion in molecules, the status of density functional theory, and the string model of chemical reactions. Insights into;

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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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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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Computational Medicinal Chemistry for Drug Discovery

function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods.;

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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 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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Introduction to Quantum Mechanics

chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing. Drawing on the extensive experience of its expert author;

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Reviews in Computational Chemistry

fields of computational chemistry. Topics in Volume 29 include: * Noncovalent Interactions in Density-Functional Theory * Long-Range Inter;

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A Matter of Density

Electron density is one of the fundamental concepts underpinning modern chemistry, and this book presents a conceptual treatment of the;

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Advances in Quantum Chemistry

Advances in Quantum Chemistry, Volume 75 presents work and reviews of current progress in computational quantum mechanics as presented;

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Ideas of Quantum Chemistry

motions, density functional theory (DFT), electric and magnetic fields, intermolecular interactions, chemical reactions and information processing;

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Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry

Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry outlines important theories and algorithms of DMRG;

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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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Reviews in Computational Chemistry, Volume 14

DENSITY FUNCTIONAL THEORY CALCULATIONS, HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND HOW TO COMPUTE ENTHALPIES OF FORMATION;

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Chemical Synergies

the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative;

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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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Computational Quantum Chemistry

Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and;

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Computer Simulations Of Molecules And Condensed Matter

structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and;

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Structure and Dynamics of Atoms and Molecules

analyzes density functional theory.;

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Concepts and Methods in Modern Theoretical Chemistry

. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe;

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