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Hi, Everyone:
I just read this paper " Correlated ab initio electronic structure calculations for large molecule" JPC A V103,1913, 1999. The paper shows the Jaguar program is about 10 times faster than G92. Can anyone share me the performance of this program? Any comment is welcomed! Thanks! Gavin Tsai |
BEGIN:VCARD VERSION:2.1 N:Tsai;Hui-Hsu (Gavin) FN:Hui-Hsu (Gavin) Tsai NICKNAME:Gavin ORG:CWRU, Chemistry Department TITLE:Ph.D. Candidate NOTE;ENCODING=QUOTED-PRINTABLE:Do molecules calculate the chemical reaction laws before they decide=0D=0Aho= w to react to each others?=0D=0A TEL;HOME;VOICE:216-229-5913 ADR;HOME:;;2416 Derbyshire Road;Cleveland;OH;44106;USA LABEL;HOME;ENCODING=QUOTED-PRINTABLE:2416 Derbyshire Road=0D=0ACleveland, OH 44106=0D=0AUSA X-WAB-GENDER:2 EMAIL;PREF;INTERNET:hxt10 |-at-| po.cwru.edu REV:19990407T231141Z END:VCARD