Accurate variational calculations for line lists to model the vibration-rotation spectra of hot astrophysical atmospheres

Water in exoplanets

(2012) G. Tinetti et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Global spectroscopy of the water monomer

(2012) O. L. Polyansky et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

The Physics behind Chemistry and the Periodic Table

(2011) Pekka Pyykkö   CHEMICAL REVIEWS

Validation of spectral gas radiation models under oxyfuel conditions. Part A: Gas cell experiments

(2011) Valentin Becher et al.   International Journal of Greenhouse Gas Control

Using nonproduct quadrature grids to solve the vibrational Schrödinger equation in 12D

(2011) Gustavo Avila et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated multireference configuration interaction: MRCI-F12

(2011) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic corrections

(2011) Xinchuan Huang et al.   JOURNAL OF CHEMICAL PHYSICS

A global, high accuracy ab initio dipole moment surface for the electronic ground state of the water molecule

(2011) Lorenzo Lodi et al.   JOURNAL OF CHEMICAL PHYSICS

Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study

(2011) Sergei N. Yurchenko et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

CDSD-4000: High-resolution, high-temperature carbon dioxide spectroscopic databank

(2011) S.A. Tashkun et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Water temperature and concentration measurements within the expanding blast wave of a high explosive

(2011) J R Carney et al.   MEASUREMENT SCIENCE and TECHNOLOGY

Rotational and vibrational energy levels of methane calculated from a new potential energy surface

(2010) Andrei V. Nikitin et al.   CHEMICAL PHYSICS LETTERS

Theoretical methods for small-molecule ro-vibrational spectroscopy

(2010) Lorenzo Lodi et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

HITEMP, the high-temperature molecular spectroscopic database

(2010) L.S. Rothman et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part II

(2010) Jonathan Tennyson et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

A ground-based near-infrared emission spectrum of the exoplanet HD 189733b

(2010) Mark R. Swain et al.   NATURE

Ab initio modeling of molecular IR spectra of astrophysical interest: application to CH4

(2009) R. Warmbier et al.   ASTRONOMY & ASTROPHYSICS

PHYSICAL PROPERTIES OF YOUNG BROWN DWARFS AND VERY LOW MASS STARS INFERRED FROM HIGH-RESOLUTION MODEL SPECTRA

(2009) Emily L. Rice et al.   ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES

Non-adiabatic corrections to the energies of the pure vibrational states of H2

(2009) Sergiy Bubin et al.   CHEMICAL PHYSICS LETTERS

A comparison of water vapor line parameters for modeling the Venus deep atmosphere

(2009) Jeremy Bailey   ICARUS

A discrete variable representation method for studying the rovibrational quantum dynamics of molecules with more than three atoms

(2009) Xiao-Gang Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic corrections to rovibrational levels of H2

(2009) Krzysztof Pachucki et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of solar radiation atmospheric absorption with different H2O spectral line data banks

(2009) T. Yu. Chesnokova et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Diffusion Monte Carlo Approaches for Evaluating Rotationally Excited States of Symmetric Top Molecules: Application to H3O+and D3O+†

(2009) Andrew S. Petit et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Variationally ComputedT= 300 K Line List for NH3†

(2009) Sergei N. Yurchenko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The HITRAN 2008 molecular spectroscopic database

(2009) L.S. Rothman et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part I—Energy levels and transition wavenumbers for H217O and H218O

(2009) Jonathan Tennyson et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Water in the near-infrared spectrum of comet 8P/Tuttle

(2009) R. J. Barber et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Tomographic imaging of temperature and chemical species based on hyperspectral absorption spectroscopy

(2009) Lin Ma et al.   OPTICS EXPRESS

Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach

(2009) Fabien Gatti et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

An empirical formula to estimate off-diagonal adiabatic corrections to rotation–vibrational energy levels

(2009) Alexander Alijah et al.   THEORETICAL CHEMISTRY ACCOUNTS

High-Resolution Spectroscopic Studies and Theory of Parity Violation in Chiral Molecules

(2008) Martin Quack et al.   Annual Review of Physical Chemistry

A grid of MARCS model atmospheres for late-type stars

(2008) B. Gustafsson et al.   ASTRONOMY & ASTROPHYSICS

MOLECULAR SIGNATURES IN THE NEAR-INFRARED DAYSIDE SPECTRUM OF HD 189733b

(2008) M. R. Swain et al.   ASTROPHYSICAL JOURNAL

Line and Mean Opacities for Ultracool Dwarfs and Extrasolar Planets

(2008) Richard S. Freedman et al.   ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES

Nonadiabatic corrections to the wave function and energy

(2008) Krzysztof Pachucki et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational energy levels of CH5+

(2008) Xiao-Gang Wang et al.   JOURNAL OF CHEMICAL PHYSICS

ICLAS of water in the 770nm transparency window (12746–13558cm−1). Comparison with current experimental and calculated databases

(2008) A. Campargue et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Water vapor line width and shift calculations with accurate vibration–rotation wave functions

(2008) A.D. Bykov et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER