The Journal of Chemical Physics · 1976 · 196 citations · 37 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistrySpectroscopyAb Initio MethodsElectronic SpectroscopyEmission SpectroscopyLaser SpectroscopyMolecular SpectroscopyVibrational SpectroscopyEinstein CoefficientsExcited Electronic StatesGround State PropertiesGround StatesOvertone BandsOvertone SpectrumOvertone TransitionsVibrational Energy Levels
Measurements of the emission intensities for overtone bands of HF and DF from a chemical laser source have been used to determine the dipole moment function for the ground electronic states of HF and DF for internuclear separations from 1.25–3.1 bohr. Vibrational matrix elements and Einstein coefficients have been determined for the fundamental through fifth overtone bands for all transitions from upper vibrational levels below v=10 for HF and v=13 for DF. The results are compared with recent ab initio and semiempirical dipole moment calculations.
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Function minimization by conjugate gradients
R. Fletcher · The Computer Journal · 1964 · 4.9K citations · Full text
<i>Quantitative Molecular Spectroscopy and Gas Emissivities</i>
Simon Penner, Rolf Landshoff · Physics Today · 1960 · 735 citations
Natural Sciences, Chemistry, Physics +12