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Contains the keyword CONFIGURATION-INTERACTION CALCULATIONS
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.
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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.
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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.
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