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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, Ruedenberg K. The Range of Electron Correlation between Localized Molecular Orbitals. A Full Configuration Interaction Analysis for the NCCN Molecule. Journal of Physical Chemistry A. 2010;114:8601-12. Abstract
Bytautas L, Ruedenberg K. Accurate ab initio potential energy curve of O-2. I. Nonrelativistic full configuration interaction valence correlation by the correlation energy extrapolation by intrinsic scaling method. Journal of Chemical Physics. 2010;132:074109. 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, Ruedenberg K. A priori identification of configurational deadwood. Chemical Physics. 2009;356:64-75. Abstract
Bytautas L, Ruedenberg K. Ab initio potential energy curve of F-2. IV. Transition from the covalent to the van der Waals region: Competition between multipolar and correlation forces. Journal of Chemical Physics. 2009;130:204101. Abstract
Bytautas L, Ruedenberg K. Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer. J Chem Phys. 2008;128:214308. 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
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, Nagata T, Gordon MS, Ruedenberg K. Accurate ab initio potential energy curve of F-2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method. J Chem Phys. 2007;127:164317. Abstract