Related papers: Theoretical study of the absorption spectra of the…
Absorption of radiation from the sodium dimer molecular states correlating to Na(3s)-Na(3s) is investigated theoretically. Vibrational bound and continuum transitions from the singlet X Sigma-g+ state to the first excited singlet A Sigma-u+…
Quantum mechanical calculations are performed of the emission and absorption profiles of the lithium 2s-2p resonance line under the influence of a helium perturbing gas. We use carefully constructed potential energy surfaces and transition…
Buffer gas cooling with a $^4$He gas is used to perform laser-absorption spectroscopy of the $^{12}$C$_2$H$_2$ ($\nu_1+\nu_3$) band at cryogenic temperatures. Doppler thermometry is first carried out to extract translational temperatures…
Accurate photodissociation cross sections have been computed for transitions from the X $^1\Sigma^+$ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment…
Accurate photodissociation cross sections have been obtained for the A-X electronic transition of HeH+ using ab initio potential curves and dipole transition moments. Partial cross sections have been evaluated for all rotational transitions…
Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom…
A new modeling way of describing the continuous absorption of electromagnetic (EM) radiation in dense partially ionized hydrogen plasma is tested in this work. It is shown that the obtained results give a possibility of calculating spectral…
This paper presents an extensive survey of the thermal radiation properties of lithium benzoate. We heated the sample from 313 to 553 K, just below the melting point, while performing an infrared spectroradiometry with an FT-IR spectrometer…
Absorption spectra of liquid water at 300 K are calculated from both classical and density functional theory molecular dynamics simulation data, which together span from 1 MHz to hundreds of THz, agreeing well with experimental data…
Infrared spectroscopy (IR) and quantum chemistry calculations that are based on the density functional theory (DFT) have been used to study the structure, molecular interactions of the nematic and twist-bend phases for thioether-linked…
We describe the generation and properties of a cryogenic beam of $^7$Li$_2$ dimers from sublimation of a neon matrix where lithium atoms have been implanted via laser ablation of solid precursors of metallic lithium or lithium hydride…
The vibration of the dimer excited by STM current on Si(001) surface is investigated. We describe this system by the Hamiltonian which has the electron-vibration coupling term as the key ingredient. In order to characterize the transition…
We have developed a source of cold LiH molecules for Stark deceleration and trapping experiments. Lithium metal is ablated from a solid target into a supersonically expanding carrier gas. The translational, rotational and vibrational…
We evaluate the electric dipole absorption in small metal particles in a longitudinal electric field taking into account the Fermi-Thomas screening. When either the level broadening or the frequency of the field are larger than the mean…
Experimental vibrational spectra (Raman and infrared absorption) of berberine are obtained at room temperature. The vibrational spectra of berberine are calculated by the DFT method at the B3LYP/6-311++G(d,p) level. Based on the correlation…
The absorption spectrum of CO$_2$ in the wavelength range 120\,nm --- 160\,nm is analyzed by means of quantum mechanical calculations performed using vibronically coupled PESs of five singlet valence electronic states and the coordinate…
Cross sections and thermal rate coefficients are computed for electron-impact dissociative recombination and vibrational excitation/de-excitation of the N$^+_2$ molecular ion in its lowest six vibrational levels, for collision…
Absorption imaging and spectroscopy can probe the dynamics of an ultracold neutral plasma during the first few microseconds after its creation. Quantitative analysis of the data, however, is complicated by the inhomogeneous density…
Infrared vibration-rotation lines can be valuable probes of interstellar and circumstellar molecules, especially symmetric molecules, which have no pure rotational transitions. But most such observations have been interpreted with an…
The ability of metal adsorption to transfer charge to the surface of single molecular carbon sheets is explored in this paper. Though other metals are considered we basically will deal with Lithium We concentrate on fairly small sheets and…