Theory and application of explicitly correlated Gaussians
The variational method complemented with the use of explicitly correlated Gaussian basis
functions is one of the most powerful approaches currently used for calculating the …
functions is one of the most powerful approaches currently used for calculating the …
ExoMol molecular line lists XXX: a complete high-accuracy line list for water
ABSTRACT A new line list for HO is presented. This line list, which is called POKAZATEL,
includes transitions between rotational–vibrational energy levels up to 41 000 cm− 1 and is …
includes transitions between rotational–vibrational energy levels up to 41 000 cm− 1 and is …
Interstellar H3+
T Oka - Chemical Reviews, 2013 - ACS Publications
The history of H3+ is a succession of inspiring discoveries, grueling hard work, big surprises,
and many puzzles and mistakes with their unexpected resolutions. It is a showcase …
and many puzzles and mistakes with their unexpected resolutions. It is a showcase …
The ExoMol database: molecular line lists for exoplanet and other hot atmospheres
The ExoMol database (www. exomol. com) provides extensive line lists of molecular
transitions which are valid over extended temperature ranges. The status of the current …
transitions which are valid over extended temperature ranges. The status of the current …
The fourth age of quantum chemistry: molecules in motion
Developments during the last two decades in nuclear motion theory made it possible to
obtain variational solutions to the time-independent, nuclear-motion Schrödinger equation of …
obtain variational solutions to the time-independent, nuclear-motion Schrödinger equation of …
High-Accuracy Line Intensities Determined from Theory and Experiment
Atmospheric CO 2 concentrations are being closely monitored by remote sensing
experiments which rely on knowing line intensities with an uncertainty of 0.5% or better …
experiments which rely on knowing line intensities with an uncertainty of 0.5% or better …
[HTML][HTML] Collisional broadening of molecular rovibronic lines
To meet burning needs of high-resolution pressure-induced line-shape parameters in the
UV/visible regions for hot-temperature industrial and atmospheric applications as well as …
UV/visible regions for hot-temperature industrial and atmospheric applications as well as …
Thirty years of astronomy
This review covers the work of the three decades since the first spectroscopic identification
of the H 3+ molecular ion outside of the laboratory in 1988, in the auroral atmosphere of the …
of the H 3+ molecular ion outside of the laboratory in 1988, in the auroral atmosphere of the …
The ExoMol atlas of molecular opacities
The ExoMol project is dedicated to providing molecular line lists for exoplanet and other hot
atmospheres. The ExoMol procedure uses a mixture of ab initio calculations and available …
atmospheres. The ExoMol procedure uses a mixture of ab initio calculations and available …
On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is
traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we …
traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we …