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H2-PolarizabilityMatrixElements : Set of data on polarizability and a python program for the interpolation (of wavelength dependent polarizability) and computation of the matrix elements(for rovibrational states) for molecular hydrogen (and its isotopologues) within the ground electronic state. molecular hydrogen | ro-vibrational wavefunctions | polarizability invariants

IntensityCalbr : Intensity calibration procedure for Raman spectrometers using multichannel detectors using spectroscopic intensity ratios as standards. (This is for relative intensity calibration and data from all available Raman bands are treated simultaneously to get wavelength/wavenumber dependent sensitivity after performing the established steps for intensity calibration. Calibration of Raman spectrometers | standardization | molecular hydrogen | Raman standards

H2-PolarizabilityDerivatives : Set of data on polarizability with programs for obtaining the derivative of polarizability invariants (for H2, HD and D2) for specific inter-nuclear distance specific to a state defined by rovibrational wavefunction. Molecular polarizability | molecular hydrogen | derivatives of polarizability invariants | Raman intensities

RamanSpecCalibration : A repository containing programs for determining the intensity calibration curve (or the wavelength sensitivity) for Raman spectrometers (and more) from the rotational Raman spectra of diatomic hydrogen and its isotopes. Calibration of Raman spectrometers | standardization | molecular hydrogen | Raman standards | Accurate intensity calibration

RamanSpec_BasicOperations : This repository contains the procedures for mentioned job needed in day to day analysis of spectra. For example, the spectra for vibrational spectroscopy etc. where the data is in array of 1-D or 2-D waves. Raman data analysis | IgorPro

Raman-Intensity-Approxmn-Test : Python module implementing the collocation method for 1D ro-vibrational Schroedinger equation used to test the double harmonic approximation for the Raman intensities of fundamental transition in diatomic molecules. This repo also includes datasets on the ro-vibrational wavefunctions and polarizabilities of 12 selected diatomic molecules. 1D-Schroedinger Equation | Diatomic molecules | ro-vibration

• Rotational and vibrational spectroscopy in gas and condensed phases
• Accurate quantum-chemical calculations
• Polarizability
• Molecular hydrogen