Quantum Mechanics of the Diatomic Molecule with Applications

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Summarizing more than 30 years of quantitative analysis of temporally and spatially-resolved experimental records, and introducing insights that are essential in utilizing the inherent symmetries associated with diatomic molecules, this is a valuable reference to any academic engaged in the field of spectroscopy and serves as a comprehensive guide to anyone with a genuine interest in the subject.



Author(s): Christian G. Parigger, James O. Hornkohl
Publisher: IOP Publishing
Year: 2020

Language: English
Pages: 222
City: Bristol

PRELIMS.pdf
Preface
Reference
Acknowledgments
Author biographies
Christian G Parigger
James O Hornkohl
CH001.pdf
Chapter 1 Primer on diatomic spectroscopy
1.1 Overview
1.2 Reversed angular momentum
1.3 Exact diatomic eigenfunction
1.4 Computation of diatomic spectra
References
CH002.pdf
Chapter 2 Line strength computations
2.1 Introduction
2.2 Idealized computation of spectra
References
CH003.pdf
Chapter 3 Framework of the Wigner–Witmer eigenfunction (WWE)
References
CH004.pdf
Chapter 4 Derivation of the Wigner–Witmer eigenfunction
4.1 Outline of the derivation
4.2 Time translation symmetry
4.3 Spatial translation symmetry
4.4 Two-body symmetry
4.5 Time and spatial translations together
4.6 Rotational symmetry
References
CH005.pdf
Chapter 5 Diatomic formula inferred from the Wigner–Witmer eigenfunction
References
CH006.pdf
Chapter 6 Hund’s cases (a) and (b)
6.1 Introduction
6.2 Case (b) basis functions
6.3 Case (a) eigenfunctions
References
CH007.pdf
Chapter 7 Basis set for the diatomic molecule
References
CH008.pdf
Chapter 8 Quantum theory of angular momentum
8.1 Introduction
8.2 The standard ∣JM〉 angular momentum representation
8.3 Rotations
8.4 Generators of coordinate transformations
References
CH009.pdf
Chapter 9 Diatomic parity
9.1 Parity details
9.1.1 Parity is rotationally invariant
9.1.2 Spin is immune to the parity operator
9.1.3 Parity operates on Cartesian coordinates, not angles
9.1.4 Intrinsic parity and Λ doublets
9.1.5 Summary of parity details
9.2 Parity designation
9.3 The parity operator
9.4 Parity and angular momentum
9.5 Diatomic parity
9.6 Λ doublets
References
CH010.pdf
Chapter 10 The Condon and Shortley line strength
Reference
CH011.pdf
Chapter 11 Hönl–London line-strength factors in Hund’s cases (a) and (b)
11.1 Case (a) basis functions
11.2 Case (b) basis functions
11.3 Mathematical properties of case (a) and case (b) basis functions
11.4 Diatomic parity operator
11.5 Hönl–London line-strength factors
11.6 Triple integral of three rotation matrix elements
11.7 Calculation of the Hönl–London line-strength factors for cases (a) and (b)
11.8 Hund’s case (b) Hönl–London line-strength factors
11.9 The electronic–vibrational strength
Reference
CH012.pdf
Chapter 12 Using the Morse potential in diatomic spectroscopy
12.1 Introduction
12.2 Morse eigenfunctions
12.2.1 Computation of Morse eigenfunctions
12.3 Morse eigenfunctions as a vibrational basis
References
CH013.pdf
Chapter 13 Introduction to applications of diatomic spectroscopy
References
CH014.pdf
Chapter 14 Experimental arrangement for laser-plasma diagnosis
References
CH015.pdf
Chapter 15 Cyanide, CN
15.1 Analysis of CO2 laser-plasma
15.2 Analysis of CN in Nd:YAG laser-plasma
15.3 Spatially and temporally resolved CN spectra
15.3.1 Laser-beam focusing
15.3.2 Shadowgraphs
15.3.3 Raw CN spectra
15.3.4 Abel-inverted CN spectra
References
CH016.pdf
Chapter 16 Diatomic carbon, C2
16.1 Analysis of C2 in Nd:YAG laser-plasma
16.2 Detailed fitting of C2 spectra
16.3 Superposition spectra of hydrogen and carbon
References
CH017.pdf
Chapter 17 Aluminium monoxide, AlO
17.1 Laser-induced breakdown spectroscopy
17.2 Experimental details for AlO measurements
17.3 Selected results
References
CH018.pdf
Chapter 18 Hydroxyl, OH
References
CH019.pdf
Chapter 19 Titanium monoxide, TiO
19.1 Introduction
19.2 Experiment
19.3 Results
References
CH020.pdf
Chapter 20 Nitric oxide, NO
20.1 Experimental details
20.2 Results
20.3 Comparison with overview spectra
References
APP1.pdf
Chapter
References
APP2.pdf
Chapter
B.1 Angular momentum operators
B.2 Angular momentum commutators and rotation matrix elements
References
APP3.pdf
Chapter
C.1 Boltzmann plots
C.2 Modified Boltzmann plot
References
APP4.pdf
Chapter
D.1 Matrix elements of the Hamiltonian
References
APP5.pdf
Chapter
E.1 Introduction
E.2 Parity operator
E.3 Rotation operator and Wigner D-function
E.4 Parity of diatomic states
E.5 Parity in an algorithm for computing diatomic spectra
References
APP6.pdf
Chapter
F.1 Introduction
F.2 CN (5,4) band spectra
F.3 Wigner–Witmer diatomic eigenfunction
F.4 Hund’s basis functions
F.5 The upper Hamiltonian matrix for the (5,4) band
F.6 A diatomic line position fitting algorithm
F.7 Discussion
F.8 Conclusion
References
APP7.pdf
Chapter
References
APP8.pdf
Chapter
H.1 Introduction
H.2 Computation of a diatomic spectrum
H.3 Determination of the molecular parameters
H.4 Discussion
References
APP9.pdf
Chapter
I.1 MorseFCF.for
I.2 MorseSubs.for
Reference