Open main menu
Home
Random
Recent changes
Special pages
Community portal
Preferences
About Wikipedia
Disclaimers
Incubator escapee wiki
Search
User menu
Talk
Dark mode
Contributions
Create account
Log in
Editing
Gaussian orbital
(section)
Warning:
You are not logged in. Your IP address will be publicly visible if you make any edits. If you
log in
or
create an account
, your edits will be attributed to your username, along with other benefits.
Anti-spam check. Do
not
fill this in!
==The POLYATOM System== The POLYATOM System<ref>{{cite journal|first1=I.G.|last1=Csizmadia|first2=M.C.|last2=Harrison|first3=J.W.|last3=Moskowitz|first4=B.T.|last4=Sutcliffe|title=Nonempirical LCAO-MO-SCF-CI calculations on organic molecules with gaussian-type functions. Introductory review and mathematical formalism|journal=Theoretica Chimica Acta|volume=6|number=3|page=191|year=1966|doi=10.1007/BF02394698|s2cid=198176437 }}</ref> was the first package for ''ab initio'' calculations using Gaussian orbitals that was applied to a wide variety of molecules.<ref>A.C. Wahl, ''Chemistry by computer'', Scientific American, pages 54-70, April, 1970.</ref> It was developed in [[John Clarke Slater|Slater's]] Solid State and Molecular Theory Group (SSMTG) at [[MIT]] using the resources of the Cooperative Computing Laboratory.<!-- verification in acknowledgements in TCA paper--> The mathematical infrastructure and operational software were developed by Imre Csizmadia,<ref>[https://books.google.com/books?id=3xCzIQDYOvoC&dq=Imre+Csizmadia+quantum&pg=PA248 ''Imre Csizmadia'', Professor Emeritus of Chemistry, University of Toronto, in Reviews in Computational Chemistry, vol.15, p.248]</ref> Malcolm Harrison,<ref>[http://cs.nyu.edu/cs/review95/node12.html ''Malcolm C. Harrison'', Professor of Computer Science, New York University]</ref> Jules Moskowitz<ref>{{dead link|date=April 2025}}[https://www.google.com/#hl=en&sugexp=ldymls&xhr=t&q=Jules+Moskowitz&cp=10&pf=p&sclient=psy&aq=0&aqi=&aql=&oq=Jules+Mosk&pbx=1&bav=on.1,or.&fp=5e2b21bd614e0a97 ''Jules W. Moskowitz'', Professor Emeritus of Chemistry, New York University]</ref> and Brian Sutcliffe.<ref>[http://www.chilton-computing.org.uk/acl/associates/users/sutcliffe.htm ''Brian T. Sutcliffe'', Professor of Chemistry, York University]</ref>
Edit summary
(Briefly describe your changes)
By publishing changes, you agree to the
Terms of Use
, and you irrevocably agree to release your contribution under the
CC BY-SA 4.0 License
and the
GFDL
. You agree that a hyperlink or URL is sufficient attribution under the Creative Commons license.
Cancel
Editing help
(opens in new window)