From owner-chemistry@ccl.net Thu Mar 26 16:29:01 2009
From: "John McKelvey jmmckel]![gmail.com" <owner-chemistry:+:server.ccl.net>
To: CCL
Subject: CCL: TDDFT/RPA B matrix
Message-Id: <-38944-090326154634-14542-GNMRUcyRUaIRAk0WnAy9kw:+:server.ccl.net>
X-Original-From: John McKelvey <jmmckel(~)gmail.com>
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Date: Thu, 26 Mar 2009 15:46:21 -0400
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Sent to CCL by: John McKelvey [jmmckel,,gmail.com]
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Folks,

In RPA and TDDFT the A matrix is the same as a CIS matrix, and the B matrix
is referred to a de-excitation matrix.  The latter makes sense when you look
compare some of the terms in each matrix.  The A matrix is also referred to
as a linear response.  I have heard the B matrix referred to as being
related to a magnetic related issue (ring currents, maybe.)

I would be happy to get people's more comprehensive physical pictures of the
B matrix, and if "defined" physical pictures for the A+B, and A-B matrices.

Regards,

John McKelvey

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Folks,<br><br>In RPA and TDDFT the A matrix is the same as a CIS matrix, an=
d the B matrix is referred to a de-excitation matrix.=A0 The latter makes s=
ense when you look compare some of the terms in each matrix.=A0 The A matri=
x is also referred to as a linear response.=A0 I have heard the B matrix re=
ferred to as being related to a magnetic related issue (ring currents, mayb=
e.) <br>
<br>I would be happy to get people&#39;s more comprehensive physical pictur=
es of the B matrix, and if &quot;defined&quot; physical pictures for the A+=
B, and A-B matrices.<br><br>Regards,<br><br>John McKelvey<br>

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