Search results for "MODEL-CALCULATIONS"
showing 3 items of 3 documents
Mechanistic Investigations of the BZ Reaction with Oxalic Acid Substrate. I. The Oscillatory Parameter Region and Rate Constants Measured for the Rea…
2004
This paper is the first part of a study reinvestigating the mechanism of the Belousov-Zhabotinsky (BZ) reaction of oxalic acid, which is the simplest organic substrate for a BZ oscillator. New experiments are performed to find the oscillatory region in 1 M sulfuric acid at 20 °C. The removal rate of the end product bromine by an inert gas stream is a critical parameter here: oscillations can be observed only in a window of that parameter. The “rate constant” for the physical removal of bromine is measured as a function of the gas flow rate and reactor volume; furthermore, the rate constants of three component reactions important in this system are also determined. These are oxygen atom tran…
Translationally invariant coupled cluster method in coordinate space for nuclei
2002
We study a formulation of the translationally invariant coupled cluster method in coordinate space for finite nuclei. The new formulation remedies convergence problems that plagued previous calculations in configuration space. The method is applied to light nuclei using semi-realistic central interactions.
Translationally invariant treatment of pair correlations in nuclei - II. Tensor correlations
1998
We study the extension of our translationally invariant treatment of few-body nuclear systems to include tensor forces and correlations. It is shown that a direct application of our method is not as successful for realistic V6 interactions as our previous results for V4 potentials suggested. We investigate the cause in detail for the case of $^4$He, and show that a combination of our method with that of Jastrow-correlated wave functions seems to be a lot more powerful, thereby suggesting that for mildly to strongly repulsive forces such a hybrid procedure may be an appropriate description.