Quantum Mechanics of the Diatomic Molecule with Applications / Christian G. Parigger and James O. Hornkohl.

Format:

Book

Author/Creator:

Parigger, Christian G., author.

Hornkohl, James O., author.

Series:

IOP Ebooks Series

Language:

English

Subjects (All):

Quantum theory.

Diatomic molecules.

Physical Description:

1 online resource (223 pages)

Edition:

First edition.

Place of Publication:

Bristol, England : IOP Publishing, [2020]

Summary:

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.

Contents:

Intro

Preface

Reference

Acknowledgments

Author biographies

Christian G Parigger

James O Hornkohl

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

Chapter 2 Line strength computations

2.1 Introduction

2.2 Idealized computation of spectra

Chapter 3 Framework of the Wigner-Witmer eigenfunction (WWE)

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

Chapter 5 Diatomic formula inferred from the Wigner-Witmer eigenfunction

Chapter 6 Hund's cases (a) and (b)

6.1 Introduction

6.2 Case (b) basis functions

6.3 Case (a) eigenfunctions

Chapter 7 Basis set for the diatomic molecule

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

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

Chapter 10 The Condon and Shortley line strength

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

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

Chapter 13 Introduction to applications of diatomic spectroscopy

Chapter 14 Experimental arrangement for laser-plasma diagnosis

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

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

Chapter 17 Aluminium monoxide, AlO

17.1 Laser-induced breakdown spectroscopy

17.2 Experimental details for AlO measurements

17.3 Selected results

Chapter 18 Hydroxyl, OH

Chapter 19 Titanium monoxide, TiO

19.1 Introduction

19.2 Experiment

19.3 Results

Chapter 20 Nitric oxide, NO

20.1 Experimental details

20.2 Results

20.3 Comparison with overview spectra

Chapter

B.1 Angular momentum operators.

B.2 Angular momentum commutators and rotation matrix elements

C.1 Boltzmann plots

C.2 Modified Boltzmann plot

D.1 Matrix elements of the Hamiltonian

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

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

H.1 Introduction

H.2 Computation of a diatomic spectrum

H.3 Determination of the molecular parameters

H.4 Discussion

I.1 MorseFCF.for

I.2 MorseSubs.for

Reference.

Notes:

Description based on publisher supplied metadata and other sources.

Description based on print version record.

Includes bibliographical references.

ISBN:

0-7503-4186-6