The Resource Advances in the theory of quantum systems in chemistry and physics, edited by Philip E. Hoggan [and others], (electronic resource)

Advances in the theory of quantum systems in chemistry and physics, edited by Philip E. Hoggan [and others], (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 [and others]
Contributor
Provider
Subject
Language
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
Cataloging source
GW5XE
Image bit depth
0
LC call number
QD453
LC item number
.A38 2012
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
  • SpringerLink
  • Hoggan, Philip E
Series statement
Progress in Theoretical Chemistry and Physics,
Series volume
22
http://library.link/vocab/subjectName
  • Chemistry, Physical and theoretical
  • Quantum theory
  • SCIENCE
  • Science des matériaux
  • Chimie
  • Chemistry, Physical and theoretical
  • Quantum theory
Label
Advances in the theory of quantum systems in chemistry and physics, edited by Philip E. Hoggan [and others], (electronic resource)
Instantiates
Publication
Antecedent source
mixed
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
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
Extent
1 online resource (xxii, 629 pages).
File format
multiple file formats
Form of item
  • online
  • electronic
Isbn
9789400720763
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-94-007-2076-3
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
  • (OCoLC)764633456
  • (OCoLC)ocn764633456
Label
Advances in the theory of quantum systems in chemistry and physics, edited by Philip E. Hoggan [and others], (electronic resource)
Publication
Antecedent source
mixed
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
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
Extent
1 online resource (xxii, 629 pages).
File format
multiple file formats
Form of item
  • online
  • electronic
Isbn
9789400720763
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-94-007-2076-3
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
  • (OCoLC)764633456
  • (OCoLC)ocn764633456

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