Ab initio quantum chemistry on the cray T3E massively parallel supercomputer: II

Journal of Computational Chemistry

Volumn 19, Issue 9, 1998, Pages 1053-1063

  Sosa, C P ^a   Ochterski, J ^a   Carpenter, J ^a   Frisch, M J ^b  

^a HEWLETT PACKARD ENTERPRISE   (United States)

^b Lorentzian Incorporated   (United States)

Author keywords

Cray T3E; Gaussian; Massively parallel; Performance

Indexed keywords

EID: 0001103982     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19980715)19:9<1053::AID-JCC6>3.0.CO;2-P     Document Type: Article

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34. All the input files used in this study can be downloaded from: hrrp://home.cray.com/~cpsosa/support.html or via e-mail to: cpsosa@cray.com