From jkl@ccl.net Fri Apr 12 10:12:59 1991 Date: Fri, 12 Apr 91 09:17:31 -0400 From: jkl@ccl.net Subject: Coupled Cluster methods To: chemistry@ccl.net Status: R I am reposting a question which was sent to chemistry-request@ccl.net instead of to chemistry@ccl.net: > From INM501@csc1.anu.edu.au Fri Apr 12 01:46:15 1991 > Date: Fri, 12 Apr 1991 15:46:28 GMT > From: INM501@csc1.anu.edu.au > Subject: Coupled Cluster methods > To: chemistry-request@ccl.net > > Could someone please point out any *simple* reference to coupled > cluster theory, linked diagram etc. for people who is not familiar with > graph theory? It would be a great help for me if someone can send me some > introductory notes if they've got any. Thanks. > > Ida From jkl@ccl.net Fri Apr 12 13:06:33 1991 Date: Fri, 12 Apr 91 12:54:40 -0400 From: jkl@ccl.net Subject: Re: Coupled Cluster methods To: chemistry@ccl.net Status: R I am posting an answer to the question about CC methods which I got >from Mike Zerner from Quantum Theory Project at University of FLorida. > From zerner@qtp.ufl.edu Fri Apr 12 12:05:51 1991 > Date: Fri, 12 Apr 91 12:01:51 EDT > From: "Mike Zerner" > To: jkl@ccl.net > Subject: Re: Coupled Cluster methods > > Monkhorst and Jerziowski, Phys Rev A. 24, 1668 (1981) good intro > and connects to CI. > > Monkhorst also has a book to appear, or that has just appeared. > > Check ALso the name Bartlett: he has a review on this. > > The introduction to Cullen and Zerner, JCP 77, 4088, 1982 might also be > helpful. From jkl@ccl.net Fri Apr 12 15:43:02 1991 Date: Fri, 12 Apr 91 15:27:31 -0400 From: jkl@ccl.net Subject: LabVision software from Tripos available To: chemistry@ccl.net Status: R I am posting commercial posting for Tripos since it is less than 15 lines: LabVision Software >From: tripos!kathy@uunet.UU.NET (Kathy Clark Jupiter1). Phone: 314-647-9241 Tripos Associates has released LabVision. With LabVision you can quickly com- pute spatial relationships, explore conformational possibilities, and compute interactions between molecules such as proteins and ligands. Build, visualize, analyze, and present molecular structures ranging from proteins, nucleic acids and carbohydrates through inorganics and organics. LabVision provides interface and file exchange with programs such as MOPAC,SYBYL, and the Brookhaven Protein Data Bank. LabVision was specifically designed for use by the bench scientist. It has pull-down menus and dialog boxes and is available on a variety of workstations with PC/compatible and Macintosh extensions. Tripos will be showing LabVision at the Atlanta ACS show. Kathy Clark, Tripos Associates, 1699 S.Hanley Rd., St.Louis, MO 63144