The Raman Spectrum of Boron Trifluoride Gas

The Raman spectrum of BF3 was photographed using a purified preparation obtained from the thermal decomposition of C6H5N2BF4. Of the lines observed, that with the frequency 888 cm^—1 is certainly, and the band at 439–513 cm^—1 is probably due to BF3. The Raman frequencies and the infra-red results of Bailey et al. are assigned to the fundamental modes of vibrations

The Raman Spectra of Carbon and Silicon Tetrafluorides

We have photographed the Raman spectra for the tetrafluorides of carbon and silicon in both the liquid and gaseous states. The results are presented in Table I together with the Raman frequencies for CCl4 for purposes of comparison

The Raman Spectra of Boron Trifluoride, Trichloride, and Tribromide. The Effect of the Boron Isotopes

The Raman frequencies v1{1}, 2v2{2}, v3{2}, and v4{2} for BF3(g), BCl3(l), and BBr3(l) were found to be 886 and 783, 1394, 1038 and 1105, 440; 471, 924, 958 and 996, 243; 279, 743, 806 and 846, and 151 cm—1, respectively. The assignment of frequencies was determined by polarization experiments on BCl3 and is confirmed for the three compounds by the results of a normal coordinate treatment. The doubling of v1 in BF3 is ascribed to vibrational resonance between v1 and 2v4. The doubling of v3 in all three compounds is shown to be due to the presence of the two isotopes of boron B10 and B11. A satisfactory assignment of the infrared frequencies of BCl3 is made

Parameterized optimized effective potential for the ground state of the atoms He through Xe

Parameterized orbitals expressed in Slater-type basis obtained within the optimized effective potential framework as well as the parameterization of the potential are reported for the ground state of the atoms He through Xe. The total, kinetic, exchange and single particle energies are given for each atom.Comment: 47 pages, 1 figur

Rayleigh-Ritz Calculation of Effective Potential Far From Equilibrium

We demonstrate the utility of a Rayleigh-Ritz scheme recently proposed to compute the nonequilibrium effective potential nonperturbatively in a strong noise regime far from equilibrium. A simple Kramers model of an ionic conductor is used to illustrate the efficiency of the method.Comment: 4 pages, Latex (Version 2.09), 2 figures (Postscript), tar+gzip+uuencoded. Submitted to Phys. Rev. Let

Parameterized optimized effective potential for atoms

The optimized effective potential equations for atoms have been solved by parameterizing the potential. The expansion is tailored to fulfill the known asymptotic behavior of the effective potential at both short and long distances. Both single configuration and multi configuration trial wave functions are implemented. Applications to several atomic systems are presented improving previous works. The results here obtained are very close to those calculated in either the Hartree-Fock and the multi configurational Hartree-Fock framework.Comment: 8 pages, 3 figure