Ames Laboratory

Bytautas L, Matsunaga N, Scuseria GE, Ruedenberg K. Accurate Potential Energy Curve for B-2. Ab Initio Elucidation of the Experimentally Elusive Ground State Rotation-Vibration Spectrum. J Phys Chem A. 2012;116:1717-29. Abstract

Bytautas L, Matsunaga N, Ruedenberg K. Accurate ab initio potential energy curve of O-2. II. Core-valence correlations, relativistic contributions, and vibration-rotation spectrum. Journal of Chemical Physics. 2010;132:074307. Abstract

Bytautas L, Matsunaga N, Nagata T, Gordon MS, Ruedenberg K. Accurate ab initio potential energy curve of F-2. III. The vibration rotation spectrum. J Chem Phys. 2007;127:204313. Abstract

Bytautas L, Matsunaga N, Nagata T, Gordon MS, Ruedenberg K. Accurate ab initio potential energy curve of F-2. II. Core-valence correlations, relativistic contributions, and long-range interactions. J Chem Phys. 2007;127:204301. Abstract