First-principles calculations of rovibrational energies, dipole transition intensities and partition function for ethylene using MULTIMODE

Multimode calculations of rovibrational energies of C2H4and C2D4

(2012) Stuart Carter et al.   MOLECULAR PHYSICS

Multimode calculations of rovibrational energies and dipole transition intensities for polyatomic molecules with torsional motion: Application to H2O2

(2011) Stuart Carter et al.   JOURNAL OF CHEMICAL PHYSICS

Using a pruned basis, a non-product quadrature grid, and the exact Watson normal-coordinate kinetic energy operator to solve the vibrational Schrödinger equation for C2H4

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

A variationally computed line list for hot NH3

(2011) S. N. Yurchenko et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes

(2010) J. M. Bowman et al.   Journal of Physical Chemistry Letters

Permutationally invariant potential energy surfaces in high dimensionality

(2009) Bastiaan J. Braams et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE

(2009) Stuart Carter et al.   JOURNAL OF CHEMICAL PHYSICS

The HITRAN 2008 molecular spectroscopic database

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

Variational quantum approaches for computing vibrational energies of polyatomic molecules

(2008) Joel M Bowman et al.   MOLECULAR PHYSICS