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Potential Functions

Diatomic Molecule Systems

Interaction Potentials and Matrix Elements of Ground-state molecular hydrogen [J.Mol.Spectrosc. (1987)]

The X, A, a and c states of Isotopic Li2 [JCP (2009) & JMS (2011)]

The X state of Isotopic MgH [JCP (2013)]

The X and A states of molecular bromine [JCP (2013)]

The X and A states of NaH and NaD [JCP (2015)]

The X and A states of isotopic CH+ [JCP (2016)]

Mircea Marinescu alkali dispersion coefficient www page
Prior to a change of career, Dr. Mircea Marinescu had developed a www page summarizing the then-current (May 1998) knowledge of dispersion and first-order interaction energy long-range potential coefficients for all alkali atom pairs. This compendium proved very valuable to other researchers, and is posted here for the convenience of the community.

Atom-Molecule Systems

H2-{rare gas} Potential Energy Surfaces [JCP (1996) & (2005)]

He-CO Potential Energy Surfaces [JCP (1994)]

2D and 3D CO2-He Potential Energy Surfaces [PCCP (2008)]