Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules

TN Olney, NM Cann, G Cooper, CE Brion - Chemical physics, 1997 - Elsevier
An assessment of the absolute scales of photoabsorption differential oscillator strength
(df/dE) spectra which were originally normalized using valence shell TRK (ie S (O)) sum-rule …

Rovibrational line-shape parameters for H2 in He and new H2-He potential energy surface

F Thibault, K Patkowski, PS Żuchowski… - Journal of Quantitative …, 2017 - Elsevier
We report a new H 2-He potential energy surface that, with respect to the previous one [Bakr
et al.(2013)], covers much larger range of H 2 stretching and exhibits more accurate …

Highly accurate potential energy surface for the He–H2 dimer

BW Bakr, DGA Smith, K Patkowski - The Journal of Chemical Physics, 2013 - pubs.aip.org
A new highly accurate interaction potential is constructed for the He–H 2 van der Waals
complex. This potential is fitted to 1900 ab initioenergies computed at the very large-basis …

Symmetry‐adapted perturbation theory calculation of the He–HF intermolecular potential energy surface

R Moszynski, PES Wormer, B Jeziorski… - The Journal of …, 1994 - pubs.aip.org
Symmetry‐adapted perturbation theory has been applied to compute the HeHF
intermolecular potential energy surface for three internuclear distances in the HF subunit …

Abinitio study of van der Waals interaction of CO2 with Ar

PJ Marshall, MM Szczȩśniak, J Sadlej… - The Journal of …, 1996 - pubs.aip.org
The ab initio potential energy surface of the ArCO2 cluster is calculated using the
supermolecular Mo/ller–Plesset perturbation theory (S‐MPPT) and dissected into its …

Multipole electric moments and higher polarizabilities of molecules: Methodology and some results of ab initio calculations

YN Kalugina, VN Cherepanov - Atmospheric and Oceanic Optics, 2015 - Springer
The technique of calculation of electric multipole moments and higher molecular
polarizabilities is described. With the help of high-level ab initio methods (R) CCSD (T) and …

A reliable new potential energy surface for H2–Ar

C Bissonnette, CE Chuaqui, KG Crowell… - The Journal of …, 1996 - pubs.aip.org
A reliable new three‐dimensional potential energy surface is obtained for the H2–Ar system
using an exchange‐coulomb potential model with five parameters determined empirically …

Ab initio determination of the rate coefficient for radiative association of He (1S)+ H+

M Juřek, V Špirko, WP Kraemer - Chemical physics, 1995 - Elsevier
The interaction potential and electric dipole moment function of the collisional system He
(1S)+ H+ are calculated at the configuration interaction level of theory using canonical SCF …

A reliable new three-dimensional potential energy surface for H2–Kr

H Wei, RJ Le Roy, R Wheatley… - The Journal of chemical …, 2005 - pubs.aip.org
An improved three-dimensional potential energy surface for the H 2–Kr system is
determined from a direct fit of new infrared spectroscopic data for H 2–Kr and D 2–Kr to a …

Dispersion of polarizability anisotropy of H2, O2, N2O, CO2, NH3, C2H6, and cyclo-C3H6 and evaluation of isotropic and anisotropic dispersion-interaction energy …

U Hohm - Chemical physics, 1994 - Elsevier
Polarizability anisotropies κ (ω) in the UV fequency range are deduced from a detailed
analysis of mean polarizabilities α (ω) and Rayleigh scattering depolarization ratios ϱ (ω) …