The Resource Advances in the Theory of Atomic and Molecular Systems : Conceptual and Computational Advances in Quantum Chemistry, edited by Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson, (electronic resource)

Advances in the Theory of Atomic and Molecular Systems : Conceptual and Computational Advances in Quantum Chemistry, edited by Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson, (electronic resource)

Label
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
Title remainder
Conceptual and Computational Advances in Quantum Chemistry
Statement of responsibility
edited by Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson
Creator
Contributor
Editor
Editor
Subject
Language
  • eng
  • eng
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
Member of
Is Subseries of
Dewey number
530.12
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsedt
  • keMKDKxl2MU
  • tyL_uHrOQnQ
  • acCgAmncHJ8
  • xFdBOHbmbRs
Language note
English
LC call number
QD450-801
Literary form
non fiction
http://bibfra.me/vocab/lite/meetingDate
2008
http://bibfra.me/vocab/lite/meetingName
International Workshop on Quantum Systems in Chemistry and Physics
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
  • Piecuch, Piotr.
  • Maruani, Jean.
  • Delgado-Barrio, Gerardo.
  • Wilson, Stephen.
Series statement
Progress in Theoretical Chemistry and Physics,
Series volume
19
http://library.link/vocab/subjectName
  • Chemistry
  • Chemistry, Physical organic
  • Theoretical and Computational Chemistry
  • Physical Chemistry
  • Applied and Technical Physics
  • Condensed Matter Physics
Label
Advances in the Theory of Atomic and Molecular Systems : Conceptual and Computational Advances in Quantum Chemistry, edited by Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson, (electronic resource)
Instantiates
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
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
Dimensions
unknown
Edition
1.
Extent
1 online resource (459 p.)
Form of item
online
Isbn
9781282459069
Media category
computer
Media type code
  • c
Other control number
10.1007/978-90-481-2596-8
Specific material designation
remote
System control number
  • (CKB)1000000000804526
  • (EBL)993182
  • (OCoLC)664716746
  • (SSID)ssj0000767899
  • (PQKBManifestationID)12327178
  • (PQKBTitleCode)TC0000767899
  • (PQKBWorkID)10758591
  • (PQKB)10466843
  • (SSID)ssj0000316062
  • (PQKBManifestationID)11207692
  • (PQKBTitleCode)TC0000316062
  • (PQKBWorkID)10263440
  • (PQKB)11754416
  • (DE-He213)978-90-481-2596-8
  • (MiAaPQ)EBC993182
  • (EXLCZ)991000000000804526
Label
Advances in the Theory of Atomic and Molecular Systems : Conceptual and Computational Advances in Quantum Chemistry, edited by Piotr Piecuch, Jean Maruani, Gerardo Delgado-Barrio, Stephen Wilson, (electronic resource)
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
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
Dimensions
unknown
Edition
1.
Extent
1 online resource (459 p.)
Form of item
online
Isbn
9781282459069
Media category
computer
Media type code
  • c
Other control number
10.1007/978-90-481-2596-8
Specific material designation
remote
System control number
  • (CKB)1000000000804526
  • (EBL)993182
  • (OCoLC)664716746
  • (SSID)ssj0000767899
  • (PQKBManifestationID)12327178
  • (PQKBTitleCode)TC0000767899
  • (PQKBWorkID)10758591
  • (PQKB)10466843
  • (SSID)ssj0000316062
  • (PQKBManifestationID)11207692
  • (PQKBTitleCode)TC0000316062
  • (PQKBWorkID)10263440
  • (PQKB)11754416
  • (DE-He213)978-90-481-2596-8
  • (MiAaPQ)EBC993182
  • (EXLCZ)991000000000804526

Library Locations

  • Albert D. Cohen Management LibraryBorrow it
    181 Freedman Crescent, Winnipeg, MB, R3T 5V4, CA
    49.807878 -97.129961
  • Architecture/Fine Arts LibraryBorrow it
    84 Curry Place, Winnipeg, MB, CA
    49.807716 -97.136226
  • Archives and Special CollectionsBorrow it
    25 Chancellors Circle (Elizabeth Dafoe Library), Room 330, Winnipeg, MB, R3T 2N2, CA
    49.809961 -97.131878
  • Bibliothèque Alfred-Monnin (Université de Saint-Boniface)Borrow it
    200, avenue de la Cathédrale, Local 2110, Winnipeg, MB, R2H 0H7, CA
    49.888861 -97.119735
  • Bill Larson Library (Grace Hospital)Borrow it
    300 Booth Drive, G-227, Winnipeg, MB, R3J 3M7, CA
    49.882400 -97.276436
  • Carolyn Sifton - Helene Fuld Library (St. Boniface General Hospital)Borrow it
    409 Tache Avenue, Winnipeg, MB, R2H 2A6, CA
    49.883388 -97.126050
  • Concordia Hospital LibraryBorrow it
    1095 Concordia Avenue, Winnipeg, MB, R2K 3S8, CA
    49.913252 -97.064683
  • Donald W. Craik Engineering LibraryBorrow it
    75B Chancellors Circle (Engineering Building E3), Room 361, Winnipeg, MB, R3T 2N2, CA
    49.809053 -97.133292
  • E.K. Williams Law LibraryBorrow it
    224 Dysart Road, Winnipeg, MB, R3T 5V4, CA
    49.811829 -97.131017
  • Eckhardt-Gramatté Music LibraryBorrow it
    136 Dafoe Road (Taché Arts Complex), Room 257, Winnipeg, MB, R3T 2N2, CA
    49.807964 -97.132222
  • Elizabeth Dafoe LibraryBorrow it
    25 Chancellors Circle, Winnipeg, MB, R3T 2N2, CA
    49.809961 -97.131878
  • Fr. H. Drake Library (St. Paul's College)Borrow it
    70 Dysart Road, Winnipeg, MB, R3T 2M6, CA
    49.810605 -97.138184
  • J.W. Crane Memorial Library (Deer Lodge Centre)Borrow it
    2109 Portage Avenue, Winnipeg, MB, R3J 0L3, CA
    49.878000 -97.235520
  • Libraries Annex (not open to the public; please see web page for details)Borrow it
    25 Chancellors Circle (in the Elizabeth Dafoe Library), Winnipeg, MB, R3T 2N2, CA
    49.809961 -97.131878
  • Neil John Maclean Health Sciences LibraryBorrow it
    727 McDermot Avenue (Brodie Centre), 200 Level, Winnipeg, MB, R3E 3P5, CA
    49.903563 -97.160554
  • Sciences and Technology LibraryBorrow it
    186 Dysart Road, Winnipeg, MB, R3T 2M8, CA
    49.811526 -97.133257
  • Seven Oaks General Hospital LibraryBorrow it
    2300 McPhillips Street, Winnipeg, MB, R2V 3M3, CA
    49.955177 -97.148865
  • Sister St. Odilon Library (Misericordia Health Centre)Borrow it
    99 Cornish Avenue, Winnipeg, MB, R3C 1A2, CA
    49.879592 -97.160425
  • St. John's College LibraryBorrow it
    92 Dysart Road, Winnipeg, MB, R3T 2M5, CA
    49.811242 -97.137156
  • Victoria General Hospital LibraryBorrow it
    2340 Pembina Highway, Winnipeg, MB, R3T 2E8, CA
    49.806755 -97.152739
  • William R Newman Library (Agriculture)Borrow it
    66 Dafoe Road, Winnipeg, MB, R3T 2R3, CA
    49.806936 -97.135525
Processing Feedback ...