The dependence of the thermal pressure of hot galactic halos on a model parameter describing the frequency of major reheating episodes during galactic history is investigated. Pressure on the interface between interstellar medium and the halo gas is especially interesting, since empirical evidence here offers one of the simplest constraints on halo models. It is shown that two-phase model of Mo...

Different types of Gaussian basis sets for accurate LCAO calculations are discussed. For calculations designed to recover a substantial portion of the correlation energy, we suggest the use of basis sets comprising natural orbitals from correlated calculations on the atoms. These basis sets have proven to be very efficient in accounting for large fractions of the molecular correlation energy. F...

We report on the measurement of the two-point correlation function, and the pairwise peculiar velocity of galaxies in the IRAS PSCz survey. We compute these statistics first in redshift space, and then obtain the projected functions which have simple relations to the real-space correlation functions on the basis of the method developed earlier in analyzing the Las Campanas Redshift Survey (LCRS...

The photoelectron (PE) spectra of 2,2'-bipyridine 1, 2 ,2 ' :6 ' ,2"-terpyridine 2, and 2,2 ' ,2" ,2" / tetrapyridine 3 have been measured using H e I radiation. For 1 — 3 standard SCF LCAO MO calculations wer also performed. Comparison of P E spectra and these calculations allowed the assignment o f Ti-ionizations and indirectly also the nitrogen lone pair ionizations in 1 — 3. Factors influen...

Magnetic F center model consisting of two electrons trapped at an anion vacancy with their spins being parallel is proposed in connection with of the prominent red shift peak observed in CdCr2S4. With LCAO method it is shown that its ground state is 3E below T, and the peak is due to transition to its excited state.

In this paper, I revisit the constraints obtained by several authors (Reichart et al. 1999; Eke et al. 1998; Henry 2000) on the estimated values of Ωm, n and σ8 in the light of recent theoretical developments: 1) new theoretical mass functions (Sheth & Tormen 1999, Sheth, Mo & Tormen 2001, Del Popolo 2002b); 2) a more accurate mass-temperature relation, also determined for arbitrary Ωm and ΩΛ (...

The mathematical concepts of distance and similarity measures are introduced into quantum chemistry to aid in the comparison of molecular electronic structures in arbitrary electronic states. Some partial measures are defined to help in estimating the similarity between molecular subunits. The distance measure is constructed using the elements of the charge-bond-order matrix. Some fields of pos...

small area estimation is a technique used to estimate parameters of subpopulations with small sample sizes.  small area estimation is needed  in obtaining information on a small area, such as sub-district or village.  generally, in some cases, small area estimation uses parametric modeling.  but in fact, a lot of models have no linear relationship between the small area average and the covariat...

Using previous results for the equilibrium geometries of stoichiometric (Al2O3)n clusters as models for non ideal alumina surfaces, we obtain, from ab-initio total energy LCAO calculations, the corresponding relaxed structures of the complexes H2O–(Al2O3)n with n ≤ 7. Depending on the initial position of the water molecule relative to the cluster site, the complex evolves to different equilibri...