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 …
(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
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 …
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
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 …
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
Symmetry‐adapted perturbation theory has been applied to compute the HeHF
intermolecular potential energy surface for three internuclear distances in the HF subunit …
intermolecular potential energy surface for three internuclear distances in the HF subunit …
Ab initio 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 …
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 …
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 …
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 …
(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 …
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) …
analysis of mean polarizabilities α (ω) and Rayleigh scattering depolarization ratios ϱ (ω) …