The Gaussian-2 method with proper dissociation, improved accuracy, and less cost

Journal of Chemical Physics

Volumn 110, Issue 24, 1999, Pages 11679-11681

  Fast, Patton L ^a   Sánchez, María Luz ^a   Corchado, José C ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000237719     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479112     Document Type: Article

References (17)

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16. 6. Only the CPU time required for the single point energy calculations is included in the mean CPU time. The CPU time required for geometry optimizations in either method or for frequency calculations in standard G2 was omitted from the mean CPU time because the present method is designed for calculating potential energy surfaces, which requires a large number of single-point calculations.
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