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Advances in the Theory of Atomic and Molecular Systems Conceptual and Computational Advances in Quantum Chemistry
Title
Advances in the Theory of Atomic and Molecular Systems [electronic resource] : Conceptual and Computational Advances in Quantum Chemistry / edited by Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson.
ISBN
9789048125968
Edition
1.
Publication
Dordrecht : Springer Netherlands : Imprint: Springer, 2009.
Physical Description
1 online resource (XIII, 448 p).
Local Notes
Access is available to the Yale community.
Access and use
Access restricted by licensing agreement.
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 that define its leading edge: they present recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. These papers are a selection of some of the most out-standing presentations made at the 13th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XIII), held at Lansing, Michigan, USA, in July 2008. Since the QSCP-XIII workshop was coordinated with the 6th Congress of the International Society for Theoretical Chemical Physics (ISTCP-VI) held at Vancouver, British Columbia, Canada, in July 2008 as well, three of the 33 papers included in the present two volumes have been written by ISTCP-VI participants. The first volume, with the subtitle Conceptual and Computational Advances in Quantum Chemistry, contains 20 papers divided into six parts. The first part focuses on historical overviews. The remaining five parts, entitled "High-Precision Quantum Chemistry", "Beyond Nonrelativistic Theory: Relativity and QED", "Advances in Wave Function Methods", "Advances in Density Functional Theory", and "Advances in Concepts and Models", focus on electronic structure theory and its foundations. The second volume, with the subtitle Dynamics, Spectroscopy, Clusters, and Nanostructures, contains 13 papers divided into three parts: "Quantum Dynamics and Spectroscopy", "Complexes and Clusters", and "Nanostructures and Complex Systems". These two volumes together are an invaluable resource to faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
Variant and related titles
Springer ENIN.
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Printed edition:
Printed edition:
Format
Books / Online
Language
English
Added to Catalog
September 25, 2018
Series
Progress in Theoretical Chemistry and Physics, 19
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.
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