From owner-chemistry@ccl.net Sat Apr 28 09:58:00 2018 From: "Susi Lehtola susi.lehtola/./alumni.helsinki.fi" To: CCL Subject: CCL: Magnitude of static field used for calculation of polarizability Message-Id: <-53284-180428094459-30370-lph1d/9M5cpjiJA+e9QFsw{:}server.ccl.net> X-Original-From: Susi Lehtola Content-Language: en-US Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=utf-8; format=flowed Date: Sat, 28 Apr 2018 16:44:45 +0300 MIME-Version: 1.0 Sent to CCL by: Susi Lehtola [susi.lehtola#%#alumni.helsinki.fi] On 04/27/2018 05:11 PM, Igors Mihailovs igorsm{=}cfi.lu.lv wrote: > Dear Dr. Lehtola, > > Can You please suggest something good to read about the theory of CPHF > and response functions? I have performed some literature search but it > was quite hard to me to sum it up to get at least some understanding of > "how it works": I have never attended any serious course on quantum > mechanics or chemistry, and I didn't find much literature for laymen > like me either. Most books I have read contain either the essential > basics or deep discussion, being quite sparse in between. If you haven't studied quantum mechanics, then understanding wave function response might be a bit tricky. CPHF and response functions are molecular properties, and so good places to start are any books written on (the calculation of) molecular properties, or the molecular properties sections of introductory quantum chemistry textbooks. By googling around I found e.g. these lecture notes by Julien Toulose which appear rather well written http://surya.lct.jussieu.fr/pagesperso/toulouse/enseignement/molecular_properties.pdf and which presents CPHF as one example. -- ------------------------------------------------------------------ Mr. Susi Lehtola, PhD Junior Fellow, Adjunct Professor susi.lehtola[a]alumni.helsinki.fi University of Helsinki http://www.helsinki.fi/~jzlehtol Finland ------------------------------------------------------------------ Susi Lehtola, dosentti, FT tutkijatohtori susi.lehtola[a]alumni.helsinki.fi Helsingin yliopisto http://www.helsinki.fi/~jzlehtol ------------------------------------------------------------------