ALBERT

Description: This program predicts the spectra resulting from electronic transitions of diatomic molecules and atoms in local thermodynamic equilibrium. The program produces a spectrum by accounting for the contribution of each rotational and atomic line considered. The integrated intensity of each line is distributed in the spectrum by an approximate Voigt profile. The program can produce spectra for optically thin gases or for cases where simultaneous emission and absorption occurs. In addition, the program can compute the spectrum resulting from the absorption of incident radiation by a column of cold gas or the high-temperature, self-absorbed emission spectrum from a nonisothermal gas. The computed spectrum can be output directly or combined with a slit function and sensitivity calibration to predict the output of a grating spectrograph or a fixed wavelength radiometer. Specifically, the program has the capability to include the following features in any computations: (1) Parallel transitions, in which spin splitting and lambda doubling are ignored (ignoring spin splitting and/or lambda doubling means that the total multiple strength is assumed to reside in a single "effective" line), (2) Perpendicular transitions, in which spin splitting and lambda doubling are ignored, (3) Sigma Pi transitions, in which lambda doubling is ignored, (4) Atomic lines, (5) Option to terminate rotational line calculations when the molecule dissociates due to rotation, (6) Option to include the alternation of line intensities for homonuclear molecules, (7) Use of an approximate Voigt profile for the line shape, and (8) Radiative energy transport in a nonisothermal gas. The output options available in the program are: (1) Tabulation of the spontaneous emission spectrum (i.e., optically thin spectrum) for a 1.0 cm path length, (2) Tabulation of the "true" spectrum, which incorporates spontaneous emission, induced emission, absorption, and externally incident radiation through the equation of radiative transfer, (3) Tabulation of the curve of growth for an arbitrary number of wavelength intervals, (4) Tabulation of the integrated intensity over an arbitrary number of wavelength intervals, and (5) Tabulation of the output signal produced by a radiometer or spectrometer by specifying an instrument calibration. The instrument slit function can be approximated by up to 99 straight line segments or by a Gaussian curve. The computation can be made at a fixed wavelength to simulate a radiometer or by scanning across any specified wavelength interval to simulate a grating instrument. In the latter case, the sensitivity can be varied as a function of wavelength to accurately simulate a grating-instrument calibration. This program is written in FORTRAN IV for batch execution and has been implemented on an IBM 7000 Series computer. This program was developed in 1968.

Description: The theory of the intensity factors of rotational lines in diatomic molecular spectra is reviewed with an emphasis on removing obscurities and resolving ambiguities that exist. For example, a unified intensity-factor sum rule is derived that is valid for all spin-allowed and spin-forbidden dipole transitions. Further, it is shown that the electronic transition moments can always be chosen to be real and that a few simple rules ensure the application of consistent phase factors.

Description: Moleuclar band spectra of CN emission assuming Gaussian rotational line profile

Description: Voigt profile closed form empirical approximation, showing accuracy and radiant energy transport calculations fitting to curves of growth

Description: Computer program to predict spectra from electronic transitions of diatomic molecules and atoms, noting line intensity distribution by Voigt profile

Description: A multiconfiguration, self-consistent field plus configuration-interaction calculation has been performed on the X2-Pi and A2-Pi electronic states of ClO. The values of certain molecular properties computed from the wavefunctions agree well with those from experiment. The sum of the squares of the computed electronic transition moments between the X2-Pi and A2-Pi states at 3.07 bohr is 1.75 a.u., which corresponds to the experimental result of 1.58 plus or minus 0.20 a.u. The computed ground state dipole moment at the experimental equilibrium separation is 1.232 D, which compares well with two experimental results of 1.18 plus or minus 0.12 and 1.239 plus or minus 0.010 D. The value of the computed dissociation energy is 2.75 eV, which agrees well with the experimental value of 2.803 plus or minus 0.001 eV.

Description: Previously published analytical formulae for the rotational line intensity factors of diatomic molecules have been compared with results from a comprehensive computer program, which determines numerical intensity factors for both spin-allowed and spin-forbidden electric and magnetic dipole transitions in diatomic molecules. The comparison uncovered several typographical errors and a few algebraic errors in the published formulae. The changes required in the formulae to give agreement with the results from the computer program are tabulated.

Description: Description of the instrumentation of a probe designed for atmospheric studies on other planets and designated PAET. The probe was launched on June 20, 1971, near Bermuda in a trial experiment for measurements of the structure and composition of the terrestrial atmosphere. The instrumentation included accelerometers, pressure and temperature sensors, a mass spectrometer, and a radiometer. The measurements, carried out during the descent of the probe from an altitude of 90 km into the sea, were a success.