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LEVEL: A computer program for solving the radial Schrödinger equation for bound and quasibound levels

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.186, p.167-178

Le Roy, Robert J.

2017

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An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data

The Journal of chemical physics, 2006-10, Vol.125 (16), p.164310-164310

2006

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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2

The Journal of chemical physics, 2010-06, Vol.132 (21), p.214309-214309

2010

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RKR1: A computer program implementing the first-order RKR method for determining diatomic molecule potential energy functions

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.186, p.158-166

Le Roy, Robert J.

2017

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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters

The Journal of chemical physics, 2013-10, Vol.139 (16), p.164315-164315

2013

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betaFIT: A computer program to fit pointwise potentials to selected analytic functions

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.186, p.210-220

2017

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ExoMol molecular line lists – X. The spectrum of sodium hydride

Monthly notices of the Royal Astronomical Society, 2015-07, Vol.451 (1), p.634-638

2015

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Full empirical potential curves for the X(1)Σ(+) and A(1)Π states of CH(+) from a direct-potential-fit analysis

The Journal of chemical physics, 2016-01, Vol.144 (2), p.024311-024311

2016

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Suppression of Parahydrogen Superfluidity in a Doped Nanoscale Bose Fluid Mixture

Physical review letters, 2019-08, Vol.123 (9), p.1, Article 093001

2019

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Molecular superfluid: nonclassical rotations in doped para-hydrogen clusters

Physical review letters, 2010-09, Vol.105 (13), p.133401-133401, Article 133401

2010

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Accurate analytic potentials for Li2(X Σ1g+) and Li2(A Σ1u+) from 2 to 90 Å, and the radiative lifetime of Li(2p)

The Journal of chemical physics, 2009-11, Vol.131 (20)

2009

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Dissociation energies and potential energy functions for the ground X (1)Σ(+) and "avoided-crossing" A (1)Σ(+) states of NaH

The Journal of chemical physics, 2015-01, Vol.142 (4), p.044305-044305

2015

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Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-12, Vol.119 (50), p.12551-12561

2015

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Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC

The Journal of chemical physics, 2008-12, Vol.129 (24), p.244306-244306

2008

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A new potential function form incorporating extended long-range behaviour: application to ground-state Ca2

Molecular physics, 2007-03, Vol.105 (5-7), p.663-677

2007

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A new empirical potential energy function for Ar2

Molecular physics, 2018-06, Vol.116 (12), p.1598

2018

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Quadrupole moment function and absolute infrared quadrupolar intensities for N2

The Journal of chemical physics, 2007-06, Vol.126 (22), p.224301-224301

2007

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Reference spectroscopic data for hydrogen halides. Part I: Construction and validation of the ro-vibrational dipole moment functions

Journal of quantitative spectroscopy & radiative transfer, 2013-05, Vol.121, p.78-90

2013

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Dissociation energies and potential energy functions for the ground X 1Σ+ and “avoided-crossing” A 1Σ+ states of NaH

The Journal of chemical physics, 2015-01, Vol.142 (4)

2015

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dPotFit: A computer program to fit diatomic molecule spectral data to potential energy functions

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.186, p.179-196

Le Roy, Robert J.

2017

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Theoretical and Experimental Study of Weakly Bound CO2–(pH2)2 Trimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (25), p.7327-7337

2011

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dParFit: A computer program for fitting diatomic molecule spectral data to parameterized level energy expressions

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.186, p.197-209

Le Roy, Robert J.

2017

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Predicted bound states and microwave spectrum of N2-He van der Waals complexes

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244503-244503

2009

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Full empirical potential curves for the X 1Σ+ and A 1Π states of CH+ from a direct-potential-fit analysis

The Journal of chemical physics, 2016-01, Vol.144 (2)

2016

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Full empirical potential curves for the X1Σ+ and A1Π states of CH+ from a direct-potential-fit analysis

The Journal of chemical physics, 2016-01, Vol.144 (2)

2016

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LEVEL: A computer program for solving the radial Schrödinger equation for bound and quasibound levels

An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data

Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2

RKR1: A computer program implementing the first-order RKR method for determining diatomic molecule potential energy functions

Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters

betaFIT: A computer program to fit pointwise potentials to selected analytic functions

ExoMol molecular line lists – X. The spectrum of sodium hydride

Full empirical potential curves for the X(1)Σ(+) and A(1)Π states of CH(+) from a direct-potential-fit analysis

Suppression of Parahydrogen Superfluidity in a Doped Nanoscale Bose Fluid Mixture

Molecular superfluid: nonclassical rotations in doped para-hydrogen clusters

Accurate analytic potentials for Li2(X Σ1g+) and Li2(A Σ1u+) from 2 to 90 Å, and the radiative lifetime of Li(2p)

Dissociation energies and potential energy functions for the ground X (1)Σ(+) and "avoided-crossing" A (1)Σ(+) states of NaH

Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues

Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC

A new potential function form incorporating extended long-range behaviour: application to ground-state Ca2

A new empirical potential energy function for Ar2

Quadrupole moment function and absolute infrared quadrupolar intensities for N2

Reference spectroscopic data for hydrogen halides. Part I: Construction and validation of the ro-vibrational dipole moment functions

Dissociation energies and potential energy functions for the ground X 1Σ+ and “avoided-crossing” A 1Σ+ states of NaH

dPotFit: A computer program to fit diatomic molecule spectral data to potential energy functions

Theoretical and Experimental Study of Weakly Bound CO2–(pH2)2 Trimers

dParFit: A computer program for fitting diatomic molecule spectral data to parameterized level energy expressions

Predicted bound states and microwave spectrum of N2-He van der Waals complexes

Full empirical potential curves for the X 1Σ+ and A 1Π states of CH+ from a direct-potential-fit analysis

Full empirical potential curves for the X1Σ+ and A1Π states of CH+ from a direct-potential-fit analysis

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