Reponses Of A Metallic Bubble: A Self-Consistent Calculation Including Correlation And Exchange Effects

The Van der Waals energy of molecules interacting with metallic bubbles is determined from spherical-tensor theory by using the response field susceptibility of the spherical bubble. The correlation and exchange effects of the electron response inside the metal are included by using the local density approximation (LDA). The dependence of the Van der Waals energy on the first Euler angle is manifestation of the anisotropy of the interaction. In order to illustrate the non-locality and the correlation and exchange effects as well as the importance of the spherical bubble curvature and anisotropy of the interaction on the potential magnitudes, we present numerical results for typical systems (HF,HCl) molecules on (Ag,Al) surfaces.The Van der Waals energy of molecules interacting with metallic bubbles is determined from spherical-tensor theory by using the response field susceptibility of the spherical bubble. The correlation and exchange effects of the electron response inside the metal are included by using the local density approximation (LDA). The dependence of the Van der Waals energy on the first Euler angle is manifestation of the anisotropy of the interaction. In order to illustrate the non-locality and the correlation and exchange effects as well as the importance of the spherical bubble curvature and anisotropy of the interaction on the potential magnitudes, we present numerical results for typical systems (HF,HCl) molecules on (Ag,Al) surfaces

Rotational spectra of isotopic species of methyl cyanide, CH3_3CN, in their ground vibrational states up to terahertz frequencies

Methyl cyanide is an important trace molecule in star-forming regions. It is one of the more common molecules used to derive kinetic temperatures in such sources. As preparatory work for Herschel, SOFIA, and in particular ALMA we want to improve the rest frequencies of the main as well as minor isotopologs of methyl cyanide. The laboratory rotational spectrum of methyl cyanide in natural isotopic composition has been recorded up to 1.63 THz. Transitions with good signal-to-noise ratio could be identified for CH$_3$CN, $^{13}$CH$_3$CN, CH$_3^{13}$CN, CH$_3$C$^{15}$N, CH$_2$DCN, and $^{13}$CH$_3^{13}$CN in their ground vibrational states up to about 1.2 THz. The main isotopic species could be identified even in the highest frequency spectral recordings around 1.6 THz. The highest $J'$ quantum numbers included in the fit are 64 for $^{13}$CH$_3^{13}$CN and 89 for the main isotopic species. Greatly improved spectroscopic parameters have been obtained by fitting the present data together with previously reported transition frequencies. The present data will be helpful to identify isotopologs of methyl cyanide in the higher frequency bands of instruments such as the recently launched Herschel satellite, the upcoming airplane mission SOFIA or the radio telescope array ALMA.Comment: 13 pages, 2 figures, article appeared; CDMS links update

An atomic and molecular database for analysis of submillimetre line observations

Atomic and molecular data for the transitions of a number of astrophysically interesting species are summarized, including energy levels, statistical weights, Einstein A-coefficients and collisional rate coefficients. Available collisional data from quantum chemical calculations and experiments are extrapolated to higher energies. These data, which are made publically available through the WWW at http://www.strw.leidenuniv.nl/~moldata, are essential input for non-LTE line radiative transfer programs. An online version of a computer program for performing statistical equilibrium calculations is also made available as part of the database. Comparisons of calculated emission lines using different sets of collisional rate coefficients are presented. This database should form an important tool in analyzing observations from current and future (sub)millimetre and infrared telescopes.Comment: Accepted for publication in A&A, 14 pages, 5 figure

Moment dipolaire de CH

Le moment dipolaire de l'acétonitrile (CH3CN) a été déterminé par spectroscopie millimétrique à absorption saturée et effet Stark. La méthode des moindres carrés corrélés et la méthode de la médiane ont été utilisées pour vérifier la validité du résultat de l’estimation du moment dipolaire. Sa valeur est : μ = 3,92197 (13) D

Spectre de rotation millimétrique et submillimétrique d' ICN dans l' état 0110

Two new submillimeterwave spectrometers capable of performing measurements up to 1 000 GHz are described. They have been used to measure the rotational spectrum of ICN in the v2 = 1 excited vibrational state. Thanks to these new measurements, it has been possible to determine for the first time the sextic centrifugal distortion constant Hj, the iodine spin-rotation constant, as well as the constant χ j which describes the effect of centrifugal distortion on quadrupole coupling. The other molecular parameters are obtained with a greater accuracy.Deux nouveaux spectromètres submillimétriques permettant de faire des mesures jusqu'à 1 000 GHz sont décrits. Ils ont été utilisés pour mesurer le spectre de rotation d'ICN dans l'état de vibration v2 = 1. Ces nouvelles mesures ont permis de déterminer pour la première fois la constante sextique HJ de distorsion centrifuge, la constante spin-rotation CN de l'iode, ainsi que la constante χj qui mesure l'influence de la distorsion centrifuge sur l'interaction quadrupolaire. Les autres paramètres moléculaires sont obtenus avec une précision accrue

ANALYSIS OF VIBRATION-ROTATION SPECTRA IN ν10=1\nu_{10}=1 AND 2 AND THE ν9=1\nu_{9}=1 AND 3 VIBRATIONS OF THE DEUTERATED (CD3CCD)(CD_{3}CCD) MOLECULE FOR THE ΔJ=3←2\Delta J=3\leftarrow 2 AND δJ=2←1\delta J=2 \leftarrow 1 ROTATIONAL TRANSITIONS

Author Institution: Faculte des Sciences Semlalia, Marakesh; Department of Physics, Mu'tah University; Department of Physics, Kyungsung University; Department of Physics, University of Bahrain; Department of Physics, University of Norh TexasMeasurements of low J components of the vibration-rotation spectra of $CD_{3}CCD$ propyne were used to obtain some of the vibration-rotational constants for this molecules. Results on components observed in the ground, $v_{10}=1$ and 2 and $v_{9}=1$ and 3 vibrations were compared with those obtained in other laboratories for high J spectral components and used to refine some of the rotational parameters. Additional spectra were observed in the 90 GHz range for the comparison with other available data

VIBRATION-ROTATION COMPONENTS IN ν10=1\nu_{10} = 1 AND 2 AND THE ν9=1\nu_{9} = 1 AND 3 VIBRATIONS OF THE DEUTERATED (CD3CCDCD_{3}CCD) MOLECULE FOR THE ΔJ=3←2\Delta J = 3\leftarrow 2 AND ΔJ=2←1\Delta J = 2\leftarrow 1 ROTATIONAL TRANSITIONS

Author Institution: Faculte des Sciences Semlalia; Department of Physics, Mu'tah University; Department of Physis, Kyungsung University; Department of Physics, University of North TexasMeasurements made on some low J components of the vibration rotation spectra of $CD_{3}CCD$ propyne were used to refine some of the rotational constants for the molecule in the vibrational states-Rotational components in the ground, $\nu_{10}-1$ and 2 and $\nu_{9} = 1$ and 3 vibrations were measured and analysed in this work. These results are compared with those obtained in other laboratories for high J spectral components in this molecule and used to refine some of the rotational parameters

Subdifferential and optimality conditions for the difference of set-valued mappings

In this paper, an existence theorem of the subgradients for set-valued mappings, which introduced by Borwein (Math Scand 48:189-204, 1981), and relations between this subdifferential and the subdifferential introduced by Baier and Jahn (J Optim Theory Appl 100:233-240, 1999), are obtained. By using the concept of this subdifferential, the sufficient optimality conditions for generalized D. C. multiobjective optimization problems are established. And the necessary optimality conditions, which are the generalizations of that in Gadhi (Positivity 9:687-703, 2005), are also established. Moreover, by using a special scalarization function, a real set-valued optimization problem is introduced and the equivalent relations between the solutions are proved for the real set-valued optimization problem and a generalized D. C. multiobjective optimization problem