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Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry

Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics;

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Modern Quantum Chemistry

The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the;

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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy / druk 1

. This focus is similar to the one taken in the book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules , edited by;

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Concepts and Methods in Modern Theoretical Chemistry

learn how concepts from ab initio quantum chemistry, density functional theory (DFT), and molecular simulation can be used to describe;

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Computational Methods in Lanthanide and Actinide Chemistry

states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these;

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Advances in Quantum Chemistry

correlation effects in atoms and molecules, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different TD-CI;

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Molecular Structure

Written by a founding father of computational chemistry, Structure and Properties of Organic Molecules provides organic, physical;

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Structure and Dynamics of Atoms and Molecules

A companion volume to Conceptual Trends in Quantum Chemistry , this work contains eight contributions focusing on important conceptual;

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Electron Correlation in Molecules

central problems, the study of electron correlation effects in molecules.Although the energy associated with electron correlation is a small;

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Concepts and Methods in Modern Theoretical Chemistry

written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT;

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Concepts and Methods in Modern Theoretical Chemistry

written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT;

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Quantum Chemistry

advances in modern quantum-chemistry methods for calculating molecular electronic structure, including the ab initio and semiempirical methods for;

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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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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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Many-body Theory Of Molecules, Clusters And Condensed Phases

, quantum liquids and Wigner crystals, along with selected applications, especially in the physical chemistry of molecules and clusters. A large;

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Reviews in Computational Chemistry, Volume 21

include: Ab Initio Quantum Simulation In Solid State Chemistry; Molecular Quantum Similarity; Enumerating Molecules; Variable Selection;

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Electron Collision Processes in Atomic and Molecular Physics

. The different topics presented include a wide range from ab-initio methods to complex quantum mechanical calculations apart from experimental;

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Cambridge Monographs on Atomic, Molecular and Chemical Physics

theory, quantum scattering and correlation, followed by the theory of single electron transition probabilities. Multiple electron transition;

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Molecular Electronic-Structure Theory

Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems;

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Many-Body Methods for Atoms, Molecules and Clusters

approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.;

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Conceptual Trends in Quantum Chemistry

development of quantum chemistry. Topics dealt with include the behaviour of molecules in magnetic fields, the long-standing problem of the decoupling;

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Magnetic Interactions in Molecules and Solids

accurate models that include the effects of electron correlation and spin-orbit coupling, can help to understand the magnetic properties;

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Relativistic Effects In Chemistry

molecules, that is, computing the properties and nature of electrons, is the work of chemists intent on exploring the mysteries of minute particles;

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Conceptual Perspectives in Quantum Chemistry

symmetries in quantum mechanics; the interplay between quantum chemistry and molecular dynamics simulations; the permutation group in many-electron;

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Ab Initio Calculations

The book entitled Ab initio Calculations: Methods and Applications provides an overview of the most used ab initio quantum methods and;

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Accurate Condensed-Phase Quantum Chemistry

metals and molecules on surfaces Describes the hierarchical method as an alternative fragment-based approach to electron correlation;

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The Electron Capture Detector And The Study Of Reactions With Thermal Electrons

of thermal electrons with molecules. It reviews electron affinities and thermodynamic and kinetic parameters of atoms, small molecules, and large;

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