Results 241 to 250 of about 163,188 (284)

Universal relation between spectroscopic constants

Pramana, 2002
A universal relation between the Sutherland parameter, Δ (= k e r /2 /2D e) and the dimensionless parameter G (= 8ω
Sarvpreet Kaur, C G Mahajan
openaire   +1 more source

Molecular screening and spectroscopic constants

International Journal of Quantum Chemistry, 2009
The use of a semi-empirically determined orbital exponent is investigated in a 4-electron energy calculation of LiH. The results are compared to those of a 2-electron calculation by the same semi-empirical method. Selected spectroscopic constants are also calculated from the energy dependence upon internuclear distance.
Jess Thompson, Michael Povich, Boris Musulin   +2 more
openaire   +1 more source

Constant width approximations for large spectroscopic calculations

Nuclear Physics A, 1975
Abstract The widths which along with the centroids define the strength distributions for the subspaces of a given ( mJT ) space are found to be clustered within a narrow range of values. Approximations to the fixed- JT averaging spectral distribution method based on this factor are suggested and their accuracies discussed. Using these approximations,
Lougheed, G. D., Wong, S. S.
openaire   +2 more sources

Spectroscopic constants and potential energy curves of GeH+

Journal of Molecular Spectroscopy, 1990
Abstract Complete active space multiconfiguration self-consistent field (CAS-MCSFC) followed by full second-roder CI (SOCI) and relativistic configuration interaction (RCI) including spin-orbit coupling calculations are carried out on 14 λ-s and 10 ω-ω states of HfH. The spectroscopic constants (re, Te, ωe, μe, De) of these states are computed.
K Balasubramanian, Kalyan K Das
openaire   +1 more source

Spectroscopic constants and potential energy curves of AsF

Chemical Physics Letters, 1995
Spectroscopic constants of low-lying bound electronic states and potential energy curves of 19 electronic states of PF arising from the valence dissociation limits are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods, which included up to 0.9 ...
Lida Latifzadeh, K. Balasubramanian
openaire   +1 more source

Spectroscopic Constants and Potential Energy Curves for GeF

Journal of Molecular Spectroscopy, 1993
Abstract Spectroscopic constants and potential energy curves of several low-lying electronic states of the GeBr radical are computed using the complete active space multiconfiguration self-consistent filed (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods which included up to a million configurations.
BALASUBRAMANIAN,K, LIAO,DW
openaire   +2 more sources

Spectroscopic determination of protein: Ligand binding constants

Journal of Chemical Education, 1987
A brief theoretical background for the spectroscopic treatment of protein-ligand interactions and a procedure to determine binding constants using absorption or fluorescence measurements.
Aydin Orstan, John F. Wojcik
openaire   +1 more source

A Constant Intensity Vacuum Spectroscopic Light Source

Journal of the Optical Society of America, 1952
A vacuum spectroscopic light source was developed which furnished a constant intensity emission line spectrum. Reproducibility was achieved by controlling with an oscilloscope the spark breakdown potential and the number of breakdowns per cycle of the applied high voltage. The gas composition in the source was found to be critically important.
Po Lee, G. L. Weissler
openaire   +1 more source

A spectroscopic determination of the Boltzmann constant

CLEO/Europe - EQEC 2009 - European Conference on Lasers and Electro-Optics and the European Quantum Electronics Conference, 2009
The current definition of the temperature unit kelvin is based on the triple point of water. The relative accuracy of about 2·10−7 of this definition is basically limited by the “purity“ of the water in the triple point cell. In order to meet future demands for temperature measurements, it is desireable to redefine the kelvin by fixing the value of the
Jan Hald, Lars Nielsen, Jan C. Petersen
openaire   +1 more source

Spectroscopic constants for tritiated and deuterated

Canadian Journal of Physics, 1984
Theoretical vibration–rotation coefficients for tritiated and deuterated [Formula: see text] are reported for Carney and Porter's ab initio electronic CI potential energy surface. In the calculation of coefficients connecting the zero-point and fundamental states of vibration, accurate vibrational CI wave functions, consisting of 220 configuration ...
openaire   +1 more source