From chemistry-request;at;ccl.net Mon Jan 19 12:18:48 2004 Received: from mtiwmhc12.worldnet.att.net (mtiwmhc12.worldnet.att.net [204.127.131.116]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i0JHIjc1000336 for ; Mon, 19 Jan 2004 12:18:46 -0500 Received: from zinc.fujitsu.com (91.denver-06rh15rt.co.dial-access.att.net[12.73.181.91]) by worldnet.att.net (mtiwmhc12) with SMTP id <2004011917193511200pq8jqe>; Mon, 19 Jan 2004 17:19:35 +0000 Message-Id: <6.0.1.1.2.20040119101059.02795040|at|postoffice.worldnet.att.net> X-Sender: mrmopac|at|postoffice.worldnet.att.net X-Mailer: QUALCOMM Windows Eudora Version 6.0.1.1 Date: Mon, 19 Jan 2004 10:17:20 -0700 To: chemistry|at|ccl.net From: "James J. P. Stewart" Subject: CCL: Slater orbital p - d transition probabilities Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed Help! I'm trying to derive the oscillator integral, os, for p to d transitions in an atom, and have come up with the expression: os = (np+nd+1)!*2**(np+nd+1)*exp(p)**(np+1/2)*exp(d)**(nd+1/2) -------------------------------------------------------- sqrt(5)*(exp(p)+exp(d)**(np+nd+2)*sqrt( (2*np)! * (2*nd)! ) where the Slater orbital principal quantum numbers are "np" and "nd", and the exponents are "p" and "d". Can anyone confirm or dispute this expression, please. Evidence either way would be appreciated. My concern is that the integral becomes very large for large values of "np" and "nd". Thanks, Jimmy