From owner-biophys@hgmp.mrc.ac.uk Wed Jan 10 15:11:17 2001 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 7B33117B7B; Wed, 10 Jan 2001 15:11:16 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 6024) id C3D2917B7A; Wed, 10 Jan 2001 15:11:14 +0000 (GMT) Received: from niobium.hgmp.mrc.ac.uk (niobium [193.62.192.41]) by mercury.hgmp.mrc.ac.uk (Postfix) with ESMTP id DBD1541603 for ; Wed, 10 Jan 2001 15:11:05 +0000 (GMT) Received: (from news@localhost) by niobium.hgmp.mrc.ac.uk (8.9.3+Sun/8.8.8) id PAA19187 for biophys-list@hgmp.mrc.ac.uk; Wed, 10 Jan 2001 15:11:04 GMT X-Authentication-Warning: niobium.hgmp.mrc.ac.uk: news set sender to using -f From: Christophe delapierre X-Newsgroups: bionet.biophysics Subject: Re: Construction of a energy matrix from a spin hamiltonian Date: Wed, 10 Jan 2001 16:07:56 +0100 Organization: Club-Internet (France) Lines: 26 Message-ID: <3A5C7ACC.FC5EA86E@club-internet.fr> References: <93cmeu$j50$1@readme.uio.no> Mime-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-Trace: front2m.grolier.fr 979139386 23403 213.44.70.110 (10 Jan 2001 15:09:46 GMT) X-Mailer: Mozilla 4.5 [fr] (Win95; I) X-Accept-Language: fr To: biophys@hgmp.mrc.ac.uk Sender: owner-biophys@hgmp.mrc.ac.uk Precedence: bulk you sould have a look at a book of quantum mechanics like "modern quantum mechanics" of j.j. sakurai at the section relative to wigner Eckart theorem page 239-242 hope it helps chris "Åsmund Kjendseth Røhr" a écrit : > Hi there! > > I need to construct a energy matrix for a EPR simulation program. > The spin hamiltonian is given as > > H= -2J*S1*S2 + b*H*g1*S1 + S1*D1*S1 + b*H*g2*S2 + S2*D2*S2 > > where S1 = 5/2 and S2= 2, and is applied at a uncoupled basis set |S1, S2, > Ms1, Ms2>, > something which should yield a 30x30 matrix. > > I'm not a physicist, and I have some problems creating this matrix > Any hints or solutions? > > Regards > > Aasmund .