The Resource Advances in the Theory of Quantum Systems in Chemistry and Physics, edited by Philip E. Hoggan, Erkki J. Brändas, Jean Maruani, Piotr Piecuch, Gerardo Delgado-Barrio, (electronic resource)

Advances in the Theory of Quantum Systems in Chemistry and Physics, edited by Philip E. Hoggan, Erkki J. Brändas, Jean Maruani, Piotr Piecuch, Gerardo Delgado-Barrio, (electronic resource)

Label
Advances in the Theory of Quantum Systems in Chemistry and Physics
Title
Advances in the Theory of Quantum Systems in Chemistry and Physics
Statement of responsibility
edited by Philip E. Hoggan, Erkki J. Brändas, Jean Maruani, Piotr Piecuch, Gerardo Delgado-Barrio
Contributor
Editor
Editor
Subject
Language
  • eng
  • eng
Summary
Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010. This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections: I. Fundamental Theory; II. Model Atoms; III. Atoms and Molecules with Exponential-Type Orbitals; IV. Density-Oriented Methods; V. Dynamics and Quantum Monte-Carlo Methodology; VI. Structure and Reactivity; VII. Complex Systems, Solids, Biophysics. Advances in the Theory of Quantum Systems in Chemistry and Physics is written for research students and professionals in Quantum systems of chemistry and physics. It also constitutes and invaluable guide for those wishing to familiarise themselves with research perspectives in the domain of quantum systems for thematic conversion or simply to gain insight into the methodological developments and applications to physics chemistry and biology that have actually become feasible by the end of 2010
Member of
Is Subseries of
Dewey number
541/.2
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsedt
  • R1TV6pMzrLw
  • O-mvnTB2mD8
  • tyL_uHrOQnQ
  • keMKDKxl2MU
  • acCgAmncHJ8
Language note
English
LC call number
QD450-801
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
  • Hoggan, Philip E.
  • Brändas, Erkki J.
  • Maruani, Jean.
  • Piecuch, Piotr.
  • Delgado-Barrio, Gerardo.
Series statement
Progress in Theoretical Chemistry and Physics,
Series volume
22
http://library.link/vocab/subjectName
  • Chemistry
  • Chemistry, Physical organic
  • Theoretical and Computational Chemistry
  • Physical Chemistry
Label
Advances in the Theory of Quantum Systems in Chemistry and Physics, edited by Philip E. Hoggan, Erkki J. Brändas, Jean Maruani, Piotr Piecuch, Gerardo Delgado-Barrio, (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
Time Asymmetry and the Evolution of Physical Laws -- Spatially-Dependent-Mass Schrödinger Equations with Morse Oscillator Eigenvalues: Isospectral Potentials and Factorization Operators -- Relativistic Theory of Cooperative Muon-Nuclear Processes: Negative Muon Capture and Metastable Nucleus Discharge -- Two-Range Addition Theorem for Coulomb Sturmians -- Why Specific ETOs are Advantageous for NMR and Molecular Interactions -- Progress in Hylleraas-CI Calculations on Boron -- Structural and Electronic Properties of Polonium under Hydrostatic Pressure -- Complexity Analysis of the Hydrogenic Spectrum in Strong Fields -- Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry -- Understanding Maximum Probability Domains with Simple Models -- Density Scaling for Excited States -- Finite Element Method in DFT Electronic Structure Calculations -- Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent DFT Calculations with the Equation-of-Motion Coupled-Cluster Results -- Multiparticle Distribution of Fermi Gas System in Any Dimension -- Hierarchical Effective-Mode Approach for Extended Molecular Systems -- Short-Time Dynamics through Conical Intersections in Macro-systems: Quadratic Coupling Extension -- Theoretical Methods for Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields -- A Survey on Reptation Quantum Monte Carlo -- Quantum Monte Carlo Calculations of Electronic Excitation Ener-gies: the Case of the Singlet n →  (CO) Transition in Acrolein -- Analysis of the Charge-Transfer Mechanism in Ion-Molecule Collisions -- Recombination by Electron Capture in the Interstellar Medium -- Systematic Exploration of Chemical Structures and Reaction Pathways on the Quantum Chemical Potential Energy Surface by Means of the Anharmonic Downward Distortion-Following Method -- Neutral Hydrolysis of Methyl Formate from Ab-initio Potentials and Molecular Dynamics Simulation -- Radial Coupling and Adiabatic Correction for the LiRb Molecule -- Centre-of-Mass Separation in Quantum Mechanics: Implications for the Many-Body Treatment in Quantum Chemistry and Solid-State Physics -- Anti-Adiabatic State - Ground Electronic State of Superconductors -- Delocalization Effects in Pristine and Oxidized Graphene Substrates -- A Review of Bonding in Dendrimers and Nano-Tubes -- 20-Nanogold Td and Low-Energy Hollow Cages: Void Reactivity -- A Theoretical Study of Complexes of Crown Ethers with Substituted Ammonium Cations -- Systematic Derivation and Testing of AMBER Force Field Parameters for Fatty Ethers from Quantum Mechanical Calculations -- Theoretical Studies on Metal-Containing Artificial DNA Bases
Dimensions
unknown
Edition
1st ed. 2012.
Extent
1 online resource (629 p.)
Form of item
online
Isbn
9789400720763
Media category
computer
Media type code
c
Other control number
10.1007/978-94-007-2076-3
Specific material designation
remote
System control number
  • (CKB)2550000000065700
  • (EBL)886011
  • (OCoLC)764633456
  • (SSID)ssj0000595744
  • (PQKBManifestationID)11362515
  • (PQKBTitleCode)TC0000595744
  • (PQKBWorkID)10571937
  • (PQKB)11449440
  • (DE-He213)978-94-007-2076-3
  • (MiAaPQ)EBC886011
  • (EXLCZ)992550000000065700
Label
Advances in the Theory of Quantum Systems in Chemistry and Physics, edited by Philip E. Hoggan, Erkki J. Brändas, Jean Maruani, Piotr Piecuch, Gerardo Delgado-Barrio, (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
Time Asymmetry and the Evolution of Physical Laws -- Spatially-Dependent-Mass Schrödinger Equations with Morse Oscillator Eigenvalues: Isospectral Potentials and Factorization Operators -- Relativistic Theory of Cooperative Muon-Nuclear Processes: Negative Muon Capture and Metastable Nucleus Discharge -- Two-Range Addition Theorem for Coulomb Sturmians -- Why Specific ETOs are Advantageous for NMR and Molecular Interactions -- Progress in Hylleraas-CI Calculations on Boron -- Structural and Electronic Properties of Polonium under Hydrostatic Pressure -- Complexity Analysis of the Hydrogenic Spectrum in Strong Fields -- Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry -- Understanding Maximum Probability Domains with Simple Models -- Density Scaling for Excited States -- Finite Element Method in DFT Electronic Structure Calculations -- Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent DFT Calculations with the Equation-of-Motion Coupled-Cluster Results -- Multiparticle Distribution of Fermi Gas System in Any Dimension -- Hierarchical Effective-Mode Approach for Extended Molecular Systems -- Short-Time Dynamics through Conical Intersections in Macro-systems: Quadratic Coupling Extension -- Theoretical Methods for Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields -- A Survey on Reptation Quantum Monte Carlo -- Quantum Monte Carlo Calculations of Electronic Excitation Ener-gies: the Case of the Singlet n →  (CO) Transition in Acrolein -- Analysis of the Charge-Transfer Mechanism in Ion-Molecule Collisions -- Recombination by Electron Capture in the Interstellar Medium -- Systematic Exploration of Chemical Structures and Reaction Pathways on the Quantum Chemical Potential Energy Surface by Means of the Anharmonic Downward Distortion-Following Method -- Neutral Hydrolysis of Methyl Formate from Ab-initio Potentials and Molecular Dynamics Simulation -- Radial Coupling and Adiabatic Correction for the LiRb Molecule -- Centre-of-Mass Separation in Quantum Mechanics: Implications for the Many-Body Treatment in Quantum Chemistry and Solid-State Physics -- Anti-Adiabatic State - Ground Electronic State of Superconductors -- Delocalization Effects in Pristine and Oxidized Graphene Substrates -- A Review of Bonding in Dendrimers and Nano-Tubes -- 20-Nanogold Td and Low-Energy Hollow Cages: Void Reactivity -- A Theoretical Study of Complexes of Crown Ethers with Substituted Ammonium Cations -- Systematic Derivation and Testing of AMBER Force Field Parameters for Fatty Ethers from Quantum Mechanical Calculations -- Theoretical Studies on Metal-Containing Artificial DNA Bases
Dimensions
unknown
Edition
1st ed. 2012.
Extent
1 online resource (629 p.)
Form of item
online
Isbn
9789400720763
Media category
computer
Media type code
c
Other control number
10.1007/978-94-007-2076-3
Specific material designation
remote
System control number
  • (CKB)2550000000065700
  • (EBL)886011
  • (OCoLC)764633456
  • (SSID)ssj0000595744
  • (PQKBManifestationID)11362515
  • (PQKBTitleCode)TC0000595744
  • (PQKBWorkID)10571937
  • (PQKB)11449440
  • (DE-He213)978-94-007-2076-3
  • (MiAaPQ)EBC886011
  • (EXLCZ)992550000000065700

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 ...