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Advances in the Theory of Atomic and Molecular Systems : Conceptual and Computational Advances in Quantum Chemistry

Author: Piotr Piecuch; Jean Maruani; G Delgado-Barrio; Stephen Wilson
Publisher: Dordrecht : Springer Netherlands : Imprint : Springer, 2009.
Series: Progress in theoretical chemistry and physics, 19.
Edition/Format:   eBook : Document : English : 1View all editions and formats
Summary:
Quantum mechanics is the fundamental theory of matter on the microscopic scale. Thanks to conceptual advances and progress in computer technology, its application to the study of atomic and molecular systems, which is of relevance to chemistry, physics, biology, and materials science, is a rapidly developing research area. Advances in the Theory of Atomic and Molecular Systems is a two-volume collection of 33 papers  Read more...
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Additional Physical Format: Printed edition:
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Piotr Piecuch; Jean Maruani; G Delgado-Barrio; Stephen Wilson
ISBN: 9789048125968 9048125960
OCLC Number: 1112547458
Description: 1 online resource (XIII, 448 pages) : online resource
Contents: Historical Overviews --
An Illustrated Overview of the Origins and Development of the QSCP Meetings --
Methylene: A Personal Perspective --
High-Precision Quantum Chemistry --
Free Complement Method for Solving the Schrödinger Equation: How Accurately Can We Solve the Schrödinger Equation --
Energy Computation for Exponentially Correlated Four-Body Wavefunctions --
Beyond Nonrelativistic Theory: Relativity and QED --
The Equivalence Principle from a Quantum Mechanical Perspective --
Relativistically Covariant Many-Body Perturbation Procedure --
Relativistic Variational Calculations for Complex Atoms --
Advances in Wave Function Methods --
Linear Scaling Local Correlation Extensions of the Standard and Renormalized Coupled-Cluster Methods --
The Correlation Consistent Composite Approach (ccCA): Efficient and Pan-Periodic Kinetics and Thermodynamics --
On the Performance of a Size-Extensive Variant of Equation-of-Motion Coupled Cluster Theory for Optical Rotation in Chiral Molecules --
Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for Carbon-Carbon Bond Breaking in Hydrocarbons --
Fermi-Vacuum Invariance in Multiconfiguration Perturbation Theory --
On the Wave Function of Coulson and Fischer: A Third Way in Quantum Chemistry --
Advances in Density Functional Theory --
Energy Densities of Exchange and Correlation in the Slowly Varying Region of the Airy Gas --
Orbital-Free Embedding Effective Potential in Analytically Solvable Cases --
A Simple Analytical Density Model for Atoms and Ions Based on a Semiexplicit Density Functional --
Advances in Concepts and Models --
The Jahn-Teller Effect: Implications in Electronic Structure Calculations --
Rules for Excited States of Degenerate Systems: Interpretation by Frozen Orbital Analysis --
The Dissociation Catastrophe in Fluctuating-Charge Models and its Implications for the Concept of Atomic Electronegativity --
Information Planes and Complexity Measures for Atomic Systems, Ionization Processes and Isoelectronic Series.
Series Title: Progress in theoretical chemistry and physics, 19.
Responsibility: edited by Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson.

Abstract:

This volume presents recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems.  Read more...

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