Gaussian-4 theory using reduced order perturbation theory.
作者： Larry A. Curtiss , Paul C. Redfern , Krishnan Raghavachari
DOI: 10.1063/1.2770701
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摘要: Two modifications of Gaussian-4 (G4) theory [ LA Curtiss et al. , J. Chem. Phys. 126 , 084108 ( 2007 ) ] are presented in which second- and third-order perturbation theories are used in …
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