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Relativistic multireference Møller–Plesset perturbation theory calculations for siliconlike ions
Author(s) -
Ishikawa Yasuyuki,
Vilkas Marius Jonas,
Koc Konrad
Publication year - 2000
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(2000)77:1<433::aid-qua43>3.0.co;2-s
Subject(s) - wave function , perturbation theory (quantum mechanics) , møller–plesset perturbation theory , excited state , ion , atomic physics , chemistry , multireference configuration interaction , configuration interaction , physics , quantum mechanics
Relativistic second‐order multireference Møller–Plesset perturbation theory calculations are reported for the ground and low‐lying excited states of siliconlike ions, Ar +4 , Ti +8 , Fe +12 , Ni +14 , Kr +22 , and Mo +28 . Multiconfiguration Dirac–Fock self‐consistent field wave functions were used as reference functions. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 433–445, 2000