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Advances in the theory of atomic and molecular systems. [Vol. 1], Conceptual and computational advances in quantum chemistry [electronic resource] / edited by Piotr Piecuch [and others].

Conference Author
International Workshop on Quantum Systems in Chemistry and Physics (13th : 2008 : Michigan State University)
Additional Titles
Conceptual and computational advances in quantum chemistry
Published
Dordrecht ; London : Springer, [2009]
Copyright Date
©2009
Physical Description
1 online resource (xiii, 448 pages) : illustrations (some color)
Additional Creators
Piecuch, Piotr
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Series
Contents
Machine generated contents note: Pt. I Historical Overviews -- An Illustrated Overview of the Origins and Development of the QSCP Meetings / Jean Maruani -- Methylene: A Personal Perspective / James F. Harrison -- Pt. II High-Precision Quantum Chemistry -- Free Complement Method for Solving the Schrodinger Equation: How Accurately Can We Solve the Schrodinger Equation / H. Nakashima / H. Nakatsuji -- Energy Computation for Exponentially Correlated Four-Body Wavefunctions / Frank E. Harris -- Pt. III Beyond Nonrelativistic Theory: Relativity and QED -- The Equivalence Principle from a Quantum Mechanical Perspective / E. J. Brandas -- Relativistically Covariant Many-Body Perturbation Procedure / Sten Salomonson / Daniel Hedendahl / Ingvar Lindgren -- Relativistic Variational Calculations for Complex Atoms / Charlotte Froese Fischer -- Pt. IV Advances in Wave Function Methods -- Linear Scaling Local Correlation Extensions of the Standard and Renormalized Coupled-Cluster Methods / Piotr Piecuch / Jeffrey R. Gour / Wei Li -- The Correlation Consistent Composite Approach (ccCA): Efficient and Pan-Periodic Kinetics and Thermodynamics / Nathan J. DeYonker / Thomas R. Cundari / Angela K. Wilson -- On the Performance of a Size-Extensive Variant of Equation-of-Motion Coupled Cluster Theory for Optical Rotation in Chiral Molecules / T. Daniel Crawford / Hideo Sekino -- Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for Carbon-Carbon Bond Breaking in Hydrocarbons / Tao Fang / Jun Shen / Shuhua Li -- Fermi-Vacuum Invariance in Multiconfiguration Perturbation Theory / Peter R. Surjan / Agnes Szabados -- On the Wave Function of Coulson and Fischer: A Third Way in Quantum Chemistry / Stephen Wilson -- Pt. V Advances in Density Functional Theory -- Energy Densities of Exchange and Correlation in the Slowly Varying Region of the Airy Gas / Adrienn Ruzsinszky / John P. Perdew / Lucian A. Constantin -- Orbital-Free Embedding Effective Potential in Analytically Solvable Cases / Tomasz A. Wesolowski / Andreas Savin -- A Simple Analytical Density Model for Atoms and Ions Based on a Semiexplicit Density Functional / Ignacio Porras / Francisco Cordobes-Aguilar -- Pt. VI Advances in Concepts and Models -- The Jahn-Teller Effect: Implications in Electronic Structure Calculations / Isaac B. Bersuker -- Rules for Excited States of Degenerate Systems: Interpretation by Frozen Orbital Analysis / Hiromi Nakai -- The Dissociation Catastrophe in Fluctuating-Charge Models and its Implications for the Concept of Atomic Electronegativity / Jiahao Chen / Todd J. Martinez -- Information Planes and Complexity Measures for Atomic Systems, Ionization Processes and Isoelectronic Series / J. C. Angulo / J. Antolin.
Summary
"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 outstanding 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." --Book Jacket.
Subject(s)
ISBN
9789048125968 (electronic bk.)
9048125960 (electronic bk.)
Note
"Papers presented at the Thirteenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XIII) which ran from 6 to 12 July 2008 at the James B. Henry Center for Executive Development of Michigan State University, East Lansing Michigan, USA)"--Pref.
AVAILABLE ONLINE TO AUTHORIZED PSU USERS.
Bibliography Note
Includes bibliographical references and index.
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