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State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More

State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances;

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Modelling Molecular Structure and Reactivity in Biological Systems

Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area;

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Electronic Structure Calculations

applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and;

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Molecular Electronic-Structure Theory

of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis;

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Valence Bond Methods

basis sets. There are references to the CRUNCH computer program for molecular structure calculations which is currently available in the public;

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Valence Bond Methods

basis sets. There are references to the CRUNCH computer program for molecular structure calculations which is currently available in the public;

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Computational Methods in Lanthanide and Actinide Chemistry

elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic;

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Theoretical Chemistry for Electronic Excited States

theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will;

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Electron Correlation in Molecules

Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular;

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Ellipsometry of Functional Organic Surfaces and Films

This new edition provides a state-of-the-art survey of ellipsometric methods used to study organic films and surfaces, from laboratory to;

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Ellipsometry of Functional Organic Surfaces and Films

This new edition provides a state-of-the-art survey of ellipsometric methods used to study organic films and surfaces, from laboratory to;

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Electronic, Atomic and Molecular Calculations

Molecular Calculations is designed to assist scientists applying GCM in the analysis of the electronic structure of atoms and molecules. There have;

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Computational Quantum Chemistry

aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations;

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Accurate Condensed-Phase Quantum Chemistry

systems, with an emphasis on molecular clusters and molecular liquids Explores delocalized and localized orbital approaches to the electronic;

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Brillouin-Wigner Methods for Many-Body Systems

Brillouin-Wigner Methods for Many-Body Systems gives an introduction to many-body methods in electronic structure theory for the graduate;

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Brillouin-Wigner Methods for Many-Body Systems

Brillouin-Wigner Methods for Many-Body Systems gives an introduction to many-body methods in electronic structure theory for the graduate;

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Quantum Chemistry

mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical;

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Computer Modeling in Inorganic Crystallography

opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge;

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Conjugated Polymer and Molecular Interfaces

Defines the state-of-the-art in interface science for electronic applications of organic materials. Updates understanding of the foundaiton;

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Electronic Structure and Properties of Transition Metal Compounds

With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive;

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New Horizons in Density Functional Theory

-point for thinking about the electronic structure of an enormous range of molecular and solid state systems. Fuelled by a rapid increase;

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UV-VIS Spectroscopy and Its Applications

was paid to the correlation between light absorption and the structure of matter with the result that in recent decades a number of excellent;

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Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed;

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Quaternion Matrix Computations

In this monograph, the authors describe state-of-the-art real structure-preserving algorithms for quaternion matrix computations;

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Structure and Rheology of Molten Polymers

summary of state-of-art methods for measuring rheological properties and relating them to molecular structure.;

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A Primer of Algebraic Geometry

representation theory. Covers affine algebraic sets and the nullstellensatz, polynomial and rational functions, projective algebraic sets. Groebner basis;

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A Primer of Algebraic Geometry

representation theory. Covers affine algebraic sets and the nullstellensatz, polynomial and rational functions, projective algebraic sets. Groebner basis;

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