
Advances in Quantum Chemistry: Lowdin Volume
- 1st Edition, Volume 74 - February 12, 2017
- Imprint: Academic Press
- Editors: John R. Sabin, Erkki J. Brändas
- Language: English
- Hardback ISBN:9 7 8 - 0 - 1 2 - 8 0 9 9 8 8 - 9
- eBook ISBN:9 7 8 - 0 - 1 2 - 8 1 0 4 0 0 - 2
Advances in Quantum Chemistry: Lowdin Volume presents a series of articles exploring aspects of the application of quantum mechanics to atoms, molecules, and solids.… Read more

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Request a sales quoteAdvances in Quantum Chemistry: Lowdin Volume presents a series of articles exploring aspects of the application of quantum mechanics to atoms, molecules, and solids.
- Celebrates Per-Olov Lowdin, who would have been 100 in 2016
- Contains papers by many who use his ideas in theoretical chemistry and physics today
Researchers and post-graduates in quantum chemistry and physics from molecular to solid state applications
Chapter One: Per-Olov Löwdin
- Acknowledgments
Chapter Two: From Numerical Orbitals to Analytical Ones and Back
- Abstract
- 1 Introduction
- 2 Exponentials
- 3 General Bases on One-Dimensional Domains
- 4 Momentum Space Representations
- 5 Mixed Representations
- 6 Four-Component Spinorbitals
- 7 Epitome
Chapter Three: The Time-Dependent Variational Principal in Quantum Mechanics and Its Application
- Abstract
- 1 Basic Equations
- 2 Coherent States
Chapter Four: Specifics on the Scientific Legacy of Per-Olov Löwdin
- Abstract
- 1 Introduction
- 2 At the Early QTP
- 3 Projection Operators
- 4 Fast-Converging CI Expansions
- 5 Nearing Full CI with Truncation Energy Errors
- 6 Unambiguous Dirac-Type Calculations
- 7 Final Remarks
- Acknowledgments
Chapter Five: Time-Dependent Perturbation Theory with Application to Atomic Systems
- Abstract
- 1 Introduction
- 2 Standard Time-Independent Perturbation Theory
- 3 Relativistic and QED Effects
- 4 Time-Dependent Perturbation Theory
- 5 QED and Electron Correlation
- 6 Concluding Remarks
- Acknowledgments
Chapter Six: Quantum Partitioning Methods for Few-Atom and Many-Atom Dynamics
- Abstract
- 1 Introduction
- 2 Molecular Effective Potentials and Long-Lived States from Partitioning Methods
- 3 Dissipative Many-Atom Dynamics from Partitioning Methods
- 4 Conclusions
- Acknowledgments
Chapter Seven: Vibrational Quantum Squeezing Induced by Inelastic Collisions
- Abstract
- 1 Introduction
- 2 Algebraic Form of the Landau–Teller Model
- 3 Squeezing Coherent States
- 4 Squeezing from an Initial Thermal Distribution
- 5 Discussion
- Acknowledgments
Chapter Eight: Resonances in the Continuum, Field-Induced Nonstationary States, and the State- and Property-Specific Treatment of the Many-Electron Problem
- Preface
- 1 Quantum Chemistry and Many-Electron Problems in the High-Lying Portions of the “Excitation Axis”
- 2 Topics
- 3 State- and Property-Specific Quantum Chemistry
- 4 Backgrounds
- 5 Overview and Elements of the SPS Theory on Topics I, II, and III
- 6 Epilogue
- Acknowledgments
Chapter Nine: High-Temperature Superconductivity in Strongly Correlated Electronic Systems
- Abstract
- 1 Per Olov Löwdin
- 2 Introduction to Superconductivity
- 3 The Pairing Instability in Classical and High-Temperature Superconductors
- 4 ODLRO in Superconductors
- 5 The Bohm–Pines Hamiltonian
- 6 Total Hamiltonian
- 7 Choice of Localized Basis Functions and Summary of Group Theoretical Analysis of Cuprate Superconductor Real-Space Condensate Wave Function
- 8 The Superconducting Ground State
- 9 Condensate Wave Functions
- 10 Role of Electron Correlation
Chapter Ten: Quantum Chemistry and Superconductors
- Abstract
- 1 Introduction
- 2 Coupling and Localization
- 3 The Hubbard Gap and the Absorption Spectrum of Transition Metal Oxides
- 4 Wave Functions and Conductivity in the Local State
- 5 Organic SC
- 6 Tungsten and Molybdenum Bronzes
- 7 Conclusion
- Acknowledgments
Chapter Eleven: State-Quantum-Chemistry Set in a Photonic Framework
- Abstract
- 1 Photon q-States: Fock Space
- 2 Basic Photonic Scheme
- 3 Abstract and Laboratory Spaces: Linking/Relating Systems
- 4 Quantum Physics of Tonomura Double-Slit Experiment
- 5 One-Photon Initiated Quantum Physical Processes
- 6 Probe Through X-Ray and Higher Frequency Photon States
- 7 Chemistry from a Photonic Quantum Physical Perspective
- 8 Information Transfers
- 9 Discussion
- Acknowledgments
Chapter Twelve: Quantum Chemistry with Thermodynamic Condition. A Journey into the Supercritical Region and Approaching the Critical Point
- Abstract
- 1 Introduction
- 2 Short Review of Some Molecular Studies in the Supercritical Region
- 3 Supercritical Ar and the Vicinities of the Critical Point
- 4 Summary and Conclusions
- Acknowledgments
Chapter Thirteen: Electron Propagator Theory: Foundations and Predictions
- Abstract
- 1 Introduction
- 2 Poles and Residues of the Electron Propagator
- 3 Derivation of the Dyson Quasiparticle Equation
- 4 Approximations in the Dyson Quasiparticle Equation
- 5 Test Calculations
- 6 Recent Applications and Extensions
- 7 Conclusions and Prospects
Chapter Fourteen: Cognition of Learning and Memory: What Have Löwdin's Orthogonalizations Got to Do With That?
- Abstract
- 1 Introduction
- 2 Recapitulation of Orthogonalization Schemes
- 3 Numerical Demonstration
- 4 A Model for Neuronal Network
- 5 Adaptation to Cognitive Memory
- 6 In Sum
- Acknowledgment
Chapter Fifteen: Ab Initio Complex Potential Energy Surfaces From Standard Quantum Chemistry Packages
- Abstract
- 1 Motivation and Difficulties in Calculating CPES
- 2 Ab Initio CPES by Using Existing and Modified SQCPs—A Brief Overview
- 3 CPES From SQCPs—Recent Developments
- 4 Concluding Remarks
- Acknowledgments
Chapter Sixteen: High-Resolution Quantum-Mechanical Signal Processing for in vivo NMR Spectroscopy
- Abstract
- 1 Introduction
- 2 Methods
- 3 Results
- 4 Discussion and Conclusions
- Acknowledgments
- Edition: 1
- Volume: 74
- Published: February 12, 2017
- Imprint: Academic Press
- No. of pages: 408
- Language: English
- Hardback ISBN: 9780128099889
- eBook ISBN: 9780128104002
JS
John R. Sabin
Sabin’s research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile’s mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target’s mean excitation energy. He has written some 250 articles in this and related fields.
Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.
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