نتایج جستجو برای: spectroscopic constants
تعداد نتایج: 88973 فیلتر نتایج به سال:
Let f(z) be a function analytic in the complex domain C+∪C−∪(−1,+∞), real for real z and such that f(z), f2(z) are anti-Herglotz functions. In this paper we show that f(z) possesses simple upper and lower bounds given by rational functions. Our main tool is the analytic theory of continued fractions. An application to the theory of solutions of the Feigenbaum-Cvitanović equation is given.
We present a simple protocol for two-player secure circuit evaluation. The protocol enables players C and D to cooperate in the computation of f(x) while D conceals her data x from C and C conceals his circuit for f from D. The protocol is based on the technique of hiding information from an oracle [Abadi, Feigenbaum, Kilian, J. Comput. System Sci. 39(1):21{50, August, 1989].
In this paper, we develop a new approach to the construction of solutions of the Feigenbaum-Cvitanović equation whose existence was shown by H. Epstein. Our main tool is the analytic theory of continued fractions.
The equilibrium structure and potential energy surface of beryllium dihydride BeH(2) in its ground electronic state have been determined from highly accurate ab initio calculations. The vibration-rotation energy levels of three isotopomers BeH(2), BeD(2), and BeHD were predicted using the variational method. The calculated spectroscopic constants are in remarkably good agreement with the existi...
With the high accuracy afforded by the sextuple correlation consistent basis set of Dunning, we have calculated energy levels, dissociation energies, equilibrium distances, and other spectroscopic constants for eleven valence and four Rydberg states of the CH radical. Comparisons with experimental and previous theoretical results are made for each state that has been treated. An understanding o...
The equilibrium structure and potential energy surface of calcium monohydroxide in its ground doublet state, X2Σ+ CaOH, have been determined from large-scale ab initio calculations using the spin-restricted coupledcluster method, RCCSD(T), with basis sets of quadrupleand quintuple-ú quality. The vibrational-rotational energy levels of the CaOH and CaOD isotopomers were calculated using the vari...
Z. Naturforsch. 60a, 408 – 410 (2005); received March 2, 2005 On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and structural parameters of TeCl4, an estimation of its main force constants complemented with the calculation of mean amplitudes of vibration in a wide temperature range have been performed. Also thermodynamic functions for the ideal gaseous...
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