Note: Literaturverz. S. 46 - 52 , Vollst. zugl.: Uppsala, Univ., Diss., 1992

Note: Cover -- Half Title -- Title Page -- Copyright Page -- Table of Contents -- Preface -- Acknowledgments -- 1: Introduction -- 1.1 Introduction -- 1.2 Properties of the Wave Function -- 1.3 One-Electron Systems -- 1.4 Many-Electron Systems -- 1.5 The Variational Method -- 1.6 Summary -- 1.7 Exercises -- 2: Configuration State Functions and Matrix Elements of the Hamiltonian -- 2.1 Configuration State Functions -- 2.2 Matrix Elements of the Hamiltonian -- 2.3 Exercises -- 3: Hartree-Fock Calculations -- 3.1 The Hartree-Fock Approximation -- 3.2 The Hartree-Fock Equation for 1s 2p 3P -- 3.3 The Self-Consistent Field Procedure -- 3.4 Hartree-Fock Solutions for the Ground State of Lithium -- 3.5 The Hartree-Fock Solutions for 1s2s 3S and 1S States in He -- 3.6 The General Hartree-Fock Equations -- 3.7 Brillouin's Theorem -- 3.8 Term Dependence -- 3.9 Iso-Electronic Sequences and Orbital Collapse -- 3.10 Quantum Defects and Rydberg Series -- 3.11 Computational Aspects -- 3.12 Exercises -- 4: Multiconfiguration Hartree-Fock Wave Functions -- 4.1 Correlation in Many-Electron Atoms -- 4.2 Z-Dependent Perturbation Theory -- 4.3 Pair-Correlation Expansions -- 4.4 Complete and Restricted Active Spaces -- 4.5 The MCHF Approximation -- 4.6 a Non-Orthogonal Extension -- 4.7 MCHF Calculation for 3s2 3p 2P in AI -- 4.8 Properties of MCHF Wave Functions -- 4.9 Computational Aspects -- 4.10 Exercises -- 5: Two-Electron Systems -- 5.1 Non-Uniqueness of the Wave Function -- 5.2 The Reduced Form -- 5.3 Rydberg Series -- 5.4 Rydberg Series with Perturber -- 5.5 The GBT Method -- 5.6 Exercises -- 6: Correlation in Many-Electron Systems -- 6.1 Zero-Order Wave Functions -- 6.2 First-Order Wave Functions -- 6.3 Z-Dependence of Atomic Properties -- 6.4 Exercises -- 7: Relativistic Effects -- 7.1 Introduction -- 7.2 The Breit-Pauli Hamiltonian. , 7.3 Breit-Pauli Wave Functions -- 7.4 Fine-Structure Levels -- 7.5 Computational Aspects -- 7.6 Fine Structure in Helium -- 7.7 The Blume-Watson Approach -- 7.8 Systems with Two Valence Electrons -- 7.9 A Limited Model for Core-Valence Correlation -- 7.10 Exploring Complex Spectra -- 7.11 Z-Dependence of Relativistic Effects -- 7.12 Exercises -- 8: Isotope and Hyperfine Effects -- 8.1 The Effects of the Nucleus -- 8.2 Mass Shift -- 8.3 Field Shift -- 8.4 Level Isotope Shift -- 8.5 Transition Isotope Shift -- 8.6 Field Shift Correction for 3d8(3F)4p 4D5/2 in Ni II -- 8.7 Hyperfine Structure -- 8.8 Hyperfine Interaction -- 8.9 Angular Properties of the Hyperfine States -- 8.10 First-Order Hyperfine Energies -- 8.11 First-Order Wave Functions -- 8.12 Computational Aspects -- 8.13 Configuration Expansions for Hyperfine Structure -- 8.14 Polarization Effects -- 8.15 Exercises -- 9: Allowed and Forbidden Transitions -- 9.1 Introduction -- 9.2 Matrix Elements for Transition Operators -- 9.3 Selection Rules for Radiative Transitions -- 9.4 Computational Aspects -- 9.5 Allowed Transitions -- 9.6 LS Calculations for Allowed Transitions -- 9.7 Cancellations in the Transition Integral -- 9.8 Core-Valence Effects on Line Strength -- 9.9 Spin-Forbidden Transitions -- 9.10 Branching Ratios in Complex Spectra -- 9.11 Forbidden Lines -- 9.12 Hyperfine-Induced Transition -- 9.13 Z-Dependence of Transition Properties -- 9.14 Exercises -- 10: MCHF Continuum Wave Functions -- 10.1 Continuum Processes -- 10.2 Continuum Functions -- 10.3 Photoionization or Photodetachment -- 10.4 Autoionization -- 10.5 Computational Aspects -- 10.6 Exercises -- Appendices -- A: Angular Momentum Theory -- A.1 Angular Momentum Operators -- A.2 Coupling of Two Angular Momenta -- A.3 Coupling of Three and Four Angular Momenta -- A.4 Spherical Tensor Operators -- A.5 The Wigner-Eckart Theorem. , A.6 Matrix Elements of Tensor Operators Between Coupled Functions -- B: The Dirac and Breit-Pauli Theory -- B.1 Introduction -- B.2 Dirac Theory of One-Electron Systems -- B.3 The Relativistic Wave Equation for Many-Electron Systems -- C: Fundamental Constants -- C.1 Atomic Units -- C.2 Additional Units -- D: Program Input Parameters -- References -- Index.

Note: Intro -- Preface -- Acknowledgments -- Contents -- Contributors -- List of Abbreviation -- About the Editors -- Part I -- Introduction to Bioaerosol Detection -- Chapter 1 -- Introduction and Bioaerosol Detection Terminology -- The Biological Warfare Background -- Detection vs Identification -- Levels of Detection -- Key Parameters and Terminologies of Bioaerosol Detection Systems -- Referhences -- Chapter 2 -- History of the Early Biodetection Development -- Introduction -- Definition of Terms -- Early Attempts Using Light Scatter Optical Particle Counting -- Bacterial Shape Analysis -- Origins of Luminol -- Lessons Learnt -- Revisiting Light Scatter Measurements and Optical Particle Counting -- Flow Cytometry -- Intrinsic Fluorescence Measurement in a Single Spore -- Ambient Air Interference with Optical Measurements -- Conclusions -- References -- Chapter 3 -- Physical and Biological Properties of Bioaerosols -- Introduction -- Types of Bioaerosols -- Bacteria and Archea -- Viruses -- Pollen -- Fungi -- Microalgae and Cyanobacteria -- Allergens, Lichens, Fragments and Other Bioaerosols -- Sources, Transport and Sinks -- Sources-Primary Emission -- Transformation and Aging during Transport -- Deposition -- Health Effects -- Historical Background -- Health Effects from Exposure -- Indoor and Workplace Bioaerosols -- Hygiene Hypothesis -- Atmospheric and Ecosystem Impact -- Conclusion -- References -- Chapter 4 -- Dispersion in the Atmosphere -- Timescales in the Different Layers -- Dispersion Processes in PBL -- Other Processes that Influences the Concentration -- Examples of Dispersion Model Results -- On Modelling in Meteorology -- References -- Chapter 5 -- Aerosol Sampling and Transport -- Introduction -- Aerodynamics of Bioaerosol Particles -- Sampling of Particles -- Sampling from a Flowing Gas -- Sampling in Calm Air. , Transport of Particles -- Gravitational Settling -- Turbulent Inertial Deposition -- Inertial Deposition in a Bend -- Inertial Deposition in Contractions -- General Guidelines -- Coarse Particle Concentrator -- Transfer of Particles into Detection Volume -- References -- Part II -- Principles and Technologies for Bioaerosol Detection -- Chapter 6 -- Light Scattering and Particle Charge Techniques for the Detection of Biological Warfare Agents -- Background -- The Approach to Real Time Detection -- Options for Particle Characterization -- Light Scattering -- Particle Shape from Scattered Light -- Measurement Technique -- Data Acquisition in Relation to Shape Resolution -- Data Display for Particle Shape and Size -- Measurement of Particle Charge -- Measurement Techniques -- Data Analysis Techniques -- Statistical Analysis -- Knowledge Based Techniques -- Learning Machines -- Artificial Neural Networks -- Support Vector Machines -- Future Trends and Developments -- Higher Resolution Measurements -- Measurement of Other Parameters -- Networking -- Low Cost Sensors -- Charge Measurement -- Data Analysis -- References -- Chapter 7 -- Bioaerosol Detection with Fluorescence Spectroscopy -- Introduction -- Fundamentals of Fluorescence -- Fluorescence from Biological Molecules -- Overview of Fluorescence-Based Bioaerosol Detection Systems -- Fluorescence Aerosol Particle Sensor -- Biological Agent Warning Sensor -- Biological Agent Real Time Sensor -- Defense Advanced Research Projects Agency Program SUVOS -- Yale University and Army Research Laboratory -- Naval Research Laboratory -- MIT Lincoln Laboratory -- UK Systems -- Swedish Defence Research Agency (FOI) -- European Defence Agency Project FABIOLA -- Deep UV Excitation for Fluorescence and Raman Detection -- Examples of Commercially Available Systems -- VeroTect -- ENVI BioScout -- IMD -- IBAC. , Design Considerations of Fluorescence-Based Systems -- Conclusions and Outlook -- References -- Chapter 8 -- Bioaerosol Detection with Atomic Emission Spectroscopy -- Introduction to Atomic Emission Spectroscopy-Based Methods -- Flame Emission Spectroscopy -- General Characteristics -- Flame Emission Spectroscopy Transformation Processes -- Flame Spectrophotometer for Bioaerosol Detection -- Bioaerosol Detection -- Bacterium Spectral Analysis -- Biological Atmospheric Background -- Biological Aerosol Detection in the Field -- Conclusions and Prospects -- Laser-Induced Breakdown Spectroscopy (LIBS) -- General Characteristics -- Basic Experimental Set-Up -- Laser Properties -- Detection Parameters (Delay and Integration Time) -- LIBS on Bio-Aerosol Particles -- Signal Processing of Emission Spectroscopy Data -- General Conclusion and Outlooks -- References -- Chapter 9 -- Mass Spectrometry Techniques in the Analysis of Bioaerosols: Development and Advancement -- Introduction -- Overview of Bioaerosol MS -- Particle Analysis by MS (PAMS) -- Early Bioaerosol Ion Trap MS -- Bioaerosol Matrix-Assisted Laser Desorption-Ionization Time of Flight Mass Spectroscopy -- Initial Studies -- Reflectron Time of Flight Mass Spectroscopy -- Ionization Efficiency -- Matrix Coating of Bioaerosol in the Vapor Phase -- Nanoparticle Bioaerosol -- Addition of Ultraviolet Fluorescence Triggering -- Single Particle vs. Bulk Mass Spectra -- Bioaerosol Mass Spectrometry -- Initial System -- Isotope-Labeled Growth Media -- Sensitivity Parameter -- Single Particle Aerosol Mass Spectroscopy -- Off-Line Aerosol Analysis of Bacterial Biomarkers -- Detection of Presence of Gram-Positive and -Negative Bacteria in Dust From Inherent Biochemicals -- Conclusions -- References -- Chapter 10 -- Detection of Bioaerosols Using Raman Spectroscopy -- Introduction to Raman Spectroscopy. , Historical Perspective and Basic Principles -- Comparison with Infrared Spectroscopy -- Scattered Raman Signal and Sample Requirements -- Type of Information Obtained from Raman Spectroscopy -- Applications -- Properties and Preparations of Aerosols -- Technologies for Raman Spectroscopy -- Bioaerosol Detection Using Raman Spectroscopy -- Spontaneous Raman Spectroscopy -- Bioaerosol Detection by RS -- Resonance and UV Raman Spectroscopy -- Bioaerosol Detection by RR in the UV Region -- Coherent Anti-Stokes Raman Spectroscopy -- Bioaerosol Detection by CARS -- Surface-Enhanced Raman Spectroscopy -- Bioaerosol Detection by SERS -- Other Raman Variations -- Optimal Control in Raman Analysis -- Data Analysis -- Outlook -- References -- Chapter 11 -- Biological Detection with Terahertz Spectroscopy -- Basic Principles and Background Overview -- Characterization Techniques -- Sub-THz Spectroscopy of Biological Macromolecules and Bioparticles. Sensitivity of THz Characterization and Data Analysis -- THz Characterization of Bioparticles in Aerosols -- Highly Resolved Sub-THz Characterization of Biological Molecules and Biological Cells/Spores -- Conclusions -- References -- Part III -- Standoff Sensor Systems for Bioaerosol Detection -- Chapter 12 -- Introduction to Stand-Off Detection of Biological Warfare Agents -- Introduction to Stand-Off Detection of Biological Warfare Agents -- Chapter 13 -- Spectrally Resolved Laser-Induced Fluorescence Lidar Based Standoff Biodetection System -- Introduction -- Fundamentals -- Simplified Model Derivation -- Robustness, Specificity, and Sensitivity of Spectrometric LIF Lidars in Standoff Bioaerosol Detection -- Robustness of Fluorescence Spectral Features -- Signature Specificity, Excitation Wavelengths, and Spectral Resolution -- Standoff Spectral LIF Sensor Sensitivity Limit -- Spectral Classification of Bioaerosols. , Signal Description -- Signal Mean and Covariance Matrix Estimation -- Fluorescence from Diverse Atmospheric Aerosols -- Classification Procedure -- Computation of the Mean and Covariance from the Database -- The Transmittance -- Database of Materials -- Conclusions -- References -- Chapter 14 -- Standoff Aerosol Size Determination based on Multiple-Field-Of-View of Elastic Scattering -- Introduction -- Theory -- Limits of the Method -- Experimental Validation -- Discussion and Conclusions -- References -- Part IV -- Outlook and Challenges -- Chapter 15 -- Trends in Biological Detection -- References -- Index.