Oscillator strengths¶
Weighted oscillator strength gf, which is what people usually use.
f is the actual oscillator strength and the actual value of f is gf divided by g".
Sometimes people need oscillator strength f, not gf.
The ressult file have 4 columns: ExoMol data: upper id, lower id, oscillator strength and wavenumber v. HITRAN data: g’, g”, oscillator strength and wavenuber v.
gf/f: Choose weigthed oscillator strength gf or actual oscillator strength f.
Plot oscillator strengths¶
PlotOscillatorStrength(Y/N): If you need a oscillator strength figure, please write Y here.
PlotOscillatorStrengthMethod: Choose to plot y-axis in linear lin or logarithm log.
PlotOscillatorStrengthWnWl: Choose to plot x-axis with wavenumber wn in unit of cm-1 (cm⁻¹), or wavelength wl in unit of um (μm) or nm.
Y-axisLimitOscillatorStrength: If you want set the lower limit of y-axis for plotting, please write here, otherwise, the default lower limit y-axis is 1e-30.
Example
# Calculate oscillator strengths #
gf/f gf
PlotOscillatorStrength(Y/N) Y
PlotOscillatorStrengthMethod log # Plot in linear (lin) or logarithm (log)
PlotOscillatorStrengthWnWl wn cm-1 # Wavenumber (wn in unit cm-1) or wavelength (wl in unit[um or nm])
Y-axisLimitOscillatorStrength 1e-30 # Default value is 1e-30
# Calculate oscillator strengths #
gf/f f
PlotOscillatorStrength(Y/N) Y
PlotOscillatorStrengthMethod lin # Plot in linear (lin) or logarithm (log)
PlotOscillatorStrengthWnWl wl um # Wavenumber (wn in unit cm-1) or wavelength (wl in unit[um or nm])
Y-axisLimitOscillatorStrength 1e-30 # Default value is 1e-30
The oscillator strengths equation is:
Example
# Data source #
Database ExoMol
Molecule CO2
Isotopologue 12C-16O2
Dataset UCL-4000
SpeciesID 21
# File path #
ReadPath /mnt/data/exomol/exomol3_data/
SavePath /home/jingxin/data/pyexocross/
LogFilePath /home/jingxin/data/pyexocross/log/CO2_ExoMol_os.log
# Functions #
Conversion 0
PartitionFunctions 0
SpecificHeats 0
CoolingFunctions 0
Lifetimes 0
OscillatorStrengths 1
StickSpectra 0
CrossSections 0
# Cores and chunks #
NCPUtrans 4
NCPUfiles 4
ChunkSize 1000000
RunMode CPU # CPU(default) or GPU
GPUBackend AUTO # AUTO(default), CUDA, PyTorch-CUDA, CuPy-CUDA, or MPS (used only when RunMode=GPU)
GPUBatchLines 8192 # GPU line-batch size (only used when RunMode=GPU)
GPUBatchGrid 256 # GPU grid-batch size (only used when RunMode=GPU)
# Calculate oscillator strengths #
gf/f gf
PlotOscillatorStrength(Y/N) Y
PlotOscillatorStrengthMethod log # Plot in linear (lin) or logarithm (log)
PlotOscillatorStrengthWnWl wn cm-1 # Wavenumber (wn in unit cm-1) or wavelength (wl in unit[um or nm])
Y-axisLimitOscillatorStrength 1e-30 # Default value is 1e-30
# Data source #
Database ExoMol
Molecule CO2
Isotopologue 12C-16O2
Dataset UCL-4000
SpeciesID 21
# File path #
ReadPath /mnt/data/exomol/exomol3_data/
SavePath /home/jingxin/data/pyexocross/
LogFilePath /home/jingxin/data/pyexocross/log/CO2_HITRAN_os.log
# Functions #
Conversion 0
PartitionFunctions 0
SpecificHeats 0
CoolingFunctions 0
Lifetimes 0
OscillatorStrengths 1
StickSpectra 0
CrossSections 0
# Cores and chunks #
NCPUtrans 4
NCPUfiles 4
ChunkSize 1000000
RunMode CPU # CPU(default) or GPU
# Calculate oscillator strengths #
gf/f gf
PlotOscillatorStrength(Y/N) Y
PlotOscillatorStrengthMethod lin # Plot in linear (lin) or logarithm (log)
PlotOscillatorStrengthWnWl wl um # Wavenumber (wn in unit cm-1) or wavelength (wl in unit[um or nm])
Y-axisLimitOscillatorStrength 1e-30 # Default value is 1e-30