Hibridon: A program suite for time-independent non-reactive quantum scattering calculations
Hibridon is a program package to solve the close-coupled equations which occur in the time
independent quantum treatment of inelastic atomic and molecular collisions. Gas-phase …
independent quantum treatment of inelastic atomic and molecular collisions. Gas-phase …
On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl–He complex
Y Ajili, K Hammami, NE Jaidane, M Lanza… - Physical Chemistry …, 2013 - pubs.rsc.org
We closely compare the accuracy of multidimensional potential energy surfaces (PESs)
generated by the recently developed explicitly correlated coupled cluster (CCSD (T)-F12) …
generated by the recently developed explicitly correlated coupled cluster (CCSD (T)-F12) …
Infrared spectrum and potential energy surface of He–CO
For 3He–CO and 4He–CO van der Waals bimers, fully resolved infrared spectra in the 4.7
μm region near the fundamental band origin of the CO monomer have been measured for …
μm region near the fundamental band origin of the CO monomer have been measured for …
Collisional line mixing
A Lévy, N Lacome… - Spectroscopy of the earth's …, 1992 - books.google.com
Collisional line mixing Page 274 Collisional Line Mixing Armand Lévy Laboratoire de
Spectrochimie Moléculaire, associé au CNRS Université Pierre et Marie Curie Paris, France …
Spectrochimie Moléculaire, associé au CNRS Université Pierre et Marie Curie Paris, France …
New developments in the theory of pressure-broadening and pressure-shifting of spectral lines of H2O: the complex Robert-Bonamy formalism
RR Gamache, R Lynch, SP Neshyba - Journal of Quantitative Spectroscopy …, 1998 - Elsevier
Calculations of the halfwidth and line shift of water vapor perturbed by N2, O2, CO2, and H2
based on a complex implementation of the formalism of Robert and Bonamy are made. The …
based on a complex implementation of the formalism of Robert and Bonamy are made. The …
Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the he–co complex
R Moszynski, T Korona, PES Wormer… - The Journal of …, 1995 - pubs.aip.org
The CO molecule plays a fundamental role in theoretical and experimental studies of the
thermal balance in dense interstellar molecular clouds. Due to its small rotational constant, it …
thermal balance in dense interstellar molecular clouds. Due to its small rotational constant, it …
Spectral line shape parameters for HF in a bath of Ar are accurately predicted by a potential inferred from spectra of the van der Waals dimer
S Green, J Hutson - The Journal of chemical physics, 1994 - pubs.aip.org
An interaction potential for Ar-HF, which was recently determined from extensive
spectroscopic data for the van der Waals dimer and which includes dependence on the HF …
spectroscopic data for the van der Waals dimer and which includes dependence on the HF …
Spectral shapes of rovibrational lines of CO broadened by He, Ar, Kr and SF6: A test case of the Hartmann-Tran profile
High signal-to-noise ratio spectra of the (3-0) band P (1) and P (17) lines of CO broadened
by He, Ar, Kr and SF 6 were measured with a frequency-stabilized cavity ring-down …
by He, Ar, Kr and SF 6 were measured with a frequency-stabilized cavity ring-down …
Self‐broadening and line mixing in HCN Q branches
AS Pine, JP Looney - The Journal of chemical physics, 1992 - pubs.aip.org
Q-branch spectra of the VI+ V 2 (4004 cm-I) and V2+ V3 (2806 cm-I) combination bands and
the VI-V 2 (2599 cm-I) difference hot band ofHCN have been recorded at pressures from …
the VI-V 2 (2599 cm-I) difference hot band ofHCN have been recorded at pressures from …