Complete nuclear motion Hamiltonian in the irreducible normal mode tensor operator formalism for the methane molecule

Extension of the MIRS computer package for the modeling of molecular spectra: From effective to full ab initio ro-vibrational Hamiltonians in irreducible tensor form

(2012) A.V. Nikitin et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Ab initio effective rotational Hamiltonians: A comparative study

(2011) P. Cassam-Chenaï et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

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

Frequently asked questions on the mean field configuration interaction method. I-distinguishable degrees of freedom

(2011) P. Cassam-Chenaï et al.   JOURNAL OF MATHEMATICAL CHEMISTRY

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

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

Ab initioro-vibrational Hamiltonian in irreducible tensor formalism: a method for computing energy levels from potential energy surfaces for symmetric-top molecules

(2010) M. Rey et al.   MOLECULAR PHYSICS

Direct absorption transitions to highly excited polyads 8, 10, and 12 of methane

(2010) D. A. Sadovskií et al.   PHYSICAL REVIEW A

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

The HITRAN 2008 molecular spectroscopic database

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

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

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

Global analysis of the high resolution infrared spectrum of methane 12CH4 in the region from 0 to 4800cm−1

(2008) S. Albert et al.   CHEMICAL PHYSICS

Canonical force field theory in terms of curvilinear internal coordinates: Application to the methane molecule

(2008) Emilio Martinez Torres   CHEMICAL PHYSICS LETTERS

Global Analysis of the Infrared Spectrum of 13CH4: Lines in the Region 0 to 3200 cm–1

(2008) Hans-Martin Niederer et al.   CHIMIA

Using a nondirect product discrete variable representation for angular coordinates to compute vibrational levels of polyatomic molecules

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

Vibrational energy levels of CH5+

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

Vibrational energies of PH3 calculated variationally at the complete basis set limit

(2008) Roman I. Ovsyannikov et al.   JOURNAL OF CHEMICAL PHYSICS