PGOPHER
- Table of Contents
PGOPHER
License
Citing Pgopher
Acknowledgments
Installation - Windows
Installation - Linux
Installation - Mac
The Slave Editor
Help and Support
Known Problems and Limitations
Common Error Messages
Compiling From Source
Procedures
Creating a data file
Simulating a Spectrum
Overlaying an Experimental Spectrum
Calibrating Spectra
Line Position Fitting
Contour Fitting
Other Fits
Non-Boltzmann Populations
External Fields - The Zeeman and Stark Effects
Details
Line List Input File Format
Widths and Lifetime Effects
Determining Colours and J ranges
J ranges and Partition Functions
Emission Spectra
Raman Spectra
Tracing Plate Spectra
Objects
Mixture
Simulation Parameters
Polarization
Species
Molecule
Interpolated Partition Functions
Manifold
State
Nucleus
Perturbation
Transition Moments
Transition Moment
Overlays
Experimental Plot
Bitmap Plot
Molecule Types
Linear Molecules
Making a Linear Molecule Data File
Worked Example - The Schumann-Runge Bands of O2
The Hamiltonian
Molecule Settings
State Settings
Nucleus Settings
Perturbations
Transition Moments
Spherical Tensor Transition Moment
Spin Magnetic Moment
Orbital Magnetic Moment
Rotational Magnetic Moment
Nuclear Magnetic Moment
Forbidden Transitions
Samples
O2 Microwave Spectrum
C2 Swan Bands
Hyperfine structure in the B-X transition in I2
Zeeman and Stark Effects in SO
Symmetric Tops
Making a data file for a Symmetric Top
Molecule Settings
State Settings
Symmetric Top Perturbations
Transition Moments
Spherical Tensor Transition Moment
Cartesian Transition Moment
Samples
Multiphton Ionization in NH3
NH3 pure rotation
Asymmetric Tops
Making a data file for an Asymmetric Top
The Hamiltonian
Symmetry and Axis Systems
Pseudo C2v Symmetry
Molecule Settings
State Settings
Nuclear Hyperfine Structure
Perturbations
Transition Moments
Cartesian Transition Moment
Spherical Tensor Transition Moment
Spin Transition Moment
Rotational Transition Moment
Nuclear Magnetic Moment
Samples
CFBr
Stark effect in (NO)<sub>2</sub>
Vibrational Structure
Making a basic data file for simulating vibrational structure
Worked Example - The Photoelectron Spectrum of H2O
Simulating vibrational structure from the l matrix
Importing l matrices
Worked Example - Predicting the Photoelectron Spectrum of H2O using ab initio Calculations
Molecule Settings
Electronic State Settings
l Matrix Window
Vibrational Modes
Nuclear co-ordinates
Perturbations
Franck-Condon factors
Dushinsky Transformation Window
Mode Displacements
Samples
CFBr Dispersed Fluorescence
The Renner-Teller effect in C3
Windows
Main Window
Constants Window
Line List Window
Line Selection Options Window
Log Window
Residuals Window
Overlays Window
Experimental Overlay
Bitmap Overlay
State Details Window
Transition Selection and Details Window
Energy Level Plot Window
Electric or Magnetic Field Plot
Calibration Window
Rename Dialog Box
Pick Channels Dialog
Menus
File Menu
Edit Menu
Adjusting the Simulation
Overlays Menu
View Menu
Help Menu
Tree Popup Menu
Alphabetical Index