From owner-chemistry $#at#$ ccl.net Wed Jul 26 02:15:00 2006 From: "nokophala]=[aim.com" To: CCL Subject: CCL: magnetic field Message-Id: <-32252-060725023459-1406-ADPZSnZBydNLOQx1ls+izg _ server.ccl.net> X-Original-From: nokophala---aim.com Content-Type: multipart/alternative; boundary="--------MailBlocks_8C87DCB912D8BB4_C5C_11D24_FWM-M08.sysops.aol.com" Date: Tue, 25 Jul 2006 02:34:51 -0400 MIME-Version: 1.0 Sent to CCL by: nokophala : aim.com ----------MailBlocks_8C87DCB912D8BB4_C5C_11D24_FWM-M08.sysops.aol.com Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Hi All, I asked a question a while ago on whether there is software that one can use to calculate electronic structure/properties in the presence of an applied magnetic field. Thanks to Jeff Hammond who pointed out that there is some formalisms like GIAO and many other codes that can calculate magnetic properties. I will do a search on these. However, I am still uncertain as to whether the various codes calculate magnetic properties of the materials under study, or whether electronic properties are calculated 'in the presence of an applied external magnetic field'. It is the latter that I am interested in. Pointers to any recent publications will be appreciated. Kind regards, Noko ________________________________________________________________________ Check Out the new free AIM(R) Mail -- 2 GB of storage and industry-leading spam and email virus protection. ----------MailBlocks_8C87DCB912D8BB4_C5C_11D24_FWM-M08.sysops.aol.com Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: 7bit
 Hi All,
I asked a question a while ago on whether there is software that one can use to calculate electronic structure/properties in the presence of an applied magnetic field. Thanks to Jeff Hammond who pointed out that there is some formalisms like GIAO and many other codes that can calculate magnetic properties. I will do a search on these.
 
However, I am still uncertain as to whether the various codes calculate magnetic properties of the materials under study, or whether electronic properties are calculated 'in the presence of an applied external magnetic field'. It is the latter that I am interested in. Pointers to any recent publications will be appreciated.
 
Kind regards,
Noko
 

 

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