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Volumn 108, Issue 2, 1998, Pages 637-648

Reduced multireference couple cluster method. II. Application to potential energy surfaces of HF, F2, and H2O

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Indexed keywords


EID: 0012021002     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475425     Document Type: Article
Times cited : (188)

References (34)
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    • The FCI calculation for a DZP model of the HF molecule by Bauschlicher et al. [J. Chem. Phys. 85, 1469 (1986)] uses five d-functions, while our calculations use six Cartesian Gaussian d-functions due to the requirements of GAMESS.
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