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11.
A general partial summation method for including arbitrary classes of diagrams to all orders in the coupled cluster based size consistent energy functional for closed shell states is developed. Since the various reduced density matrices which appear in the energy functional are essentially the time-independent analogues of the corresponding many body Green functions, it is possible to derive Dyson-like equations for these quantities. By expanding the associated proper self energy parts in terms of the T-amplitudes, one can carry out partial summations in the reduced density matrices and thus in energy. At a higher level, higher order terms in a proper self energy can also be generated by renormalizing the internal propagators in it, and considering only the irreducible self-energy terms.  相似文献   
12.
The title compound, [Fe2O(SO4)2(C10H8N2)4], crystallizes as two different hydrates, viz. 11H2O, (I), and 15H2O, (II). The complex is binuclear, in which the two FeIII atoms are coordinated in an octa­hedral geometry to four N atoms from the two bipyridine ligands, to one O atom from the sulfate ion and to an oxide ion on a twofold axis, which acts as a bridge between the symmetry‐related units. The Fe⋯Fe separation is 3.556 (4) Å and the Fe—O—Fe angle is 161.6 (2)° in (I); the corresponding values are 3.544 (1) Å and 165.8 (2)° in (II). In (II), one of the O atoms of the sulfate ion is disordered over two positions. In both compounds, the solvent water mol­ecules form slightly different one‐dimensional hydrogen‐bonded networks which pass along the c axis of the unit cell. In (I), three solvent water mol­ecules and, in (II), one solvent water mol­ecule, are situated on the twofold axis. In both (I) and (II), the central O atom of the metal complex lies on a twofold axis.  相似文献   
13.
The electrochemical and chemical polymerization of acrylamide (AA) has been studied. The electrolysis of the monomer in N,N-dimethylformamide (DMF) containing (C4H9)4NClO4 as the supporting electrolyte leads to polymer formation in both anode and cathode compartments. The cathodic polymer dissolves in the reaction mixture and the anodic polymer precipitates during the course of polymerization. A plausible mechanism for the anodic and cathodic initiation reaction has been given. The chemical polymerization of acrylamide that has been initiated by HClO4 is analogous to its anodic polymerization. The polymer yield increases with an increase in concentration of the monomer and HClO4. Raising the reaction temperature also enhances the polymerization rate. The overall apparent activation energy of the polymerization was determined to be ca. 19 kcal/mole. The copolymerization of acrylamide was carried out with methyl methacrylate (MMA) in a solution of HClO4 in DMF. The reactivity ratios are r1 (AA) = 0.25 and r2 = 2.50. The polymerization with HClO4 appears to be by a free radical mechanism. When the polymerization of acrylamide is carried out with HClO4 in H2O, a crosslinked water-insoluble gel formation takes place.  相似文献   
14.
The synthesis and phase transitional behaviour of three pairs of enantiomeric supramolecular hexacatenar liquid crystals (LCs) derived from natural α-amino acids such as l/d-alanine, l/d-leucine and l/d-valine are described. Their preparation with high enantiomeric purity was accomplished by condensing optically active (amino acid residue containing) trialkoxy amines with a 3,4,5-trialkoxy cinnamic acid core using a peptide coupling reagent namely, 2-(1H-benzotriazol-1-yl)-1,1,3,3-tetramethyl-uronium hexafluorophosphate (HBTU). The mesomorphic behaviour of these self-complementing mesogens was ascertained by polarising optical microscopy, differential scanning calorimetry and X-ray diffraction. The compounds exhibit columnar (Col) phase over a wide thermal range. Particularly, a pair of enantiomers derived from l/d-leucine residues notably stabilize hexagonal Col (Colh) phase over a wide temperature range of ?5 °C to 180 °C. Circular dichroism (CD) and FTIR studies suggest the chiral (helical) organization of mesogens within the columns through intermolecular hydrogen bonding; thus, these enantiomers represent one of the rarely reported examples of LCs exhibiting supramolecular Colh phase at room temperature. The gelation studies reveal the ability of these bisamides to form stable supramolecular gels in ethanol caused through H-bonding interactions.  相似文献   
15.
Differential incoherent scattering cross-section ratios of 279.2 keV photons by zirconium, tin, tantalum, lead and uranium elements are experimentally determined by comparing the peak areas under the degraded photon energy with that of an equivalent aluminium foil employing a high resolution 35 c.c. coaxial Ge(Li) detector. Studies have been made in single configuration in an angular range of 20° to 115°. The results are compared with theoretical values obtained from the non-relativistichfs model of Hubbell and co-workers. The cross-section ratios decrease as the atomic number increases for a given scattering angle.  相似文献   
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This is summary of the activities of the working group on collider physics in the IXth Workshop on High Energy Physics Phenomenology (WHEPP-9) held at the Institute of Physics, Bhubaneswar, India in January 2006. Some of the work subsequently done on these problems by the subgroups formed during the workshop is included in this report.  相似文献   
19.
It is demonstrated that the chemical potential of bosons trapped in a harmonic potential shows a discontinuity as a function of the number of particles in the system. In the model used, it is shown that if the number of particles is of the order of 106 or greater, bulk-like behaviour is exhibited by the system. This translates to a ratio of V/Vc>106 for bulk behaviour, where V is the crystallite volume of the experimental sample and Vc is the volume of the unit cell. Several experimental results covering a wide range of physical phenomena that corroborate the fact that such a number-induced phase transition indeed exists are presented.  相似文献   
20.
Strong intensity enhancement or extinction of some single harmonics is observed in high-harmonic generation from 48 fs Ti:sapphire laser pulses propagating through preformed low-excited laser-produced plasmas of various materials (GaAs, Cr, InSb, stainless steel). The intensities of some of the harmonics in the mid- and end-plateau regions vary from ~23-fold enhancement to near disappearance compared with those of the neighboring ones. It is also shown that the observed intensity enhancement (or extinction) can be varied by controlling the chirp of the driving laser radiation.  相似文献   
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