From chemistry-request@server.ccl.net Mon Apr 26 11:11:11 1999 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA02910 for ; Mon, 26 Apr 1999 11:11:11 -0400 Received: from cerberus.ulaval.ca (cerberus.ulaval.ca [132.203.250.10]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id LAA06106 Mon, 26 Apr 1999 11:06:43 -0400 (EDT) Received: from fluor.chm.ulaval.ca (fluor.chm.ulaval.ca [132.203.70.9]) by cerberus.ulaval.ca (8.8.7/8.7.3) with ESMTP id LAA03989; Mon, 26 Apr 1999 11:14:12 -0400 (EDT) Received: (from anh@localhost) by fluor.chm.ulaval.ca (8.6.12/8.6.12) id EAA03677; Mon, 26 Apr 1999 04:43:40 -0400 From: "Nguyen N. Anh" Message-Id: <9904260443.ZM3675@fluor.chm.ulaval.ca> Date: Mon, 26 Apr 1999 04:43:37 -0400 In-Reply-To: jjxu "CCL:how to solve vibrational eigenfunctions when a potential energy surface is given" (Apr 26, 10:10pm) References: <199904261306.WAA10006@rose.dicp.ac.cn> X-Mailer: Z-Mail (3.2.1 6apr95 MediaMail) To: jjxu Subject: Re: CCL:how to solve vibrational eigenfunctions when a potential energy surface is given Cc: chemistry@www.ccl.net Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Dear Jijun Xu, You can use the power spectrum method: M.D. Feit, J.A. Fleck, and A. Steiger J. Comput. Phys. 47 412(1982) This may help! Good luck On Apr 26, 10:10pm, jjxu wrote: > Subject: CCL:how to solve vibrational eigenfunctions when a potential ener > Dear Sir, > I want to calculate molecular vibrational eigenfunctions when a multi-dimensional potential > energy surface is given. > Can you give me some instructions? > Best Regards > Jijun Xu > Dalian Institute of Chemical Physics > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > >-- End of excerpt from jjxu -- Nguyen Nam Anh Quebec, Canada E-mail: anh@chm.ulaval.ca WWW: http://promethium.chm.ulaval.ca/~anh/