hydrogen-molecule

There are 0 repository under hydrogen-molecule topic.

• ankit7540 / IntensityCalbr

  Intensity calibration procedure for 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.)

  spectroscopyintensity-calibrationraman-spectroscopyspectral-analysisrotational-ramanhydrogen-moleculespectrometer
  Language:Python 3

• zronyj / metodosqm

  Funciones para la evaluación energética y gráficas de los diferentes casos que se estudian en Química Cuántica

  quantum-chemistryquantum-mechanicspythonhartree-fockhartree-fock-methodshydrogen-atomhydrogen-moleculeharmonic-oscillatorparticle-in-a-box
  Language:Python 3

• ankit7540 / 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 .

  matrix-elementsrovibrational-statespolarizabilityquantum-chemistryhydrogen-molecule
  Language:Fortran 2

• ankit7540 / 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.

  polarizabilityhydrogen-moleculeraman-spectroscopyrotation-vibration
  Language:Python 0

• ankit7540 / Schroedinger-Diatomic

  Set of programs developed in IgorPro for the numerical solution of the radial-nuclear equation for diatomic molecules, to obtain the energy levels and the wavefunctions for the rotation-vibration states. In the related research, these programs were used for H2 and isotopologues.

  hydrogen-moleculequantum-chemistryro-vibrationschrodinger-equation
  Language:IGOR Pro