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'''Isaiah Shavitt''' was a Polish-born [[theoretical chemist]].
'''Isaiah Shavitt''' was a Polish-born Israeli and American [[theoretical chemist]].


He was born on July 29, 1925 in [[Kutno]], [[Second Polish Republic|Poland]]. He was awarded a Ph. D., supervised by [[S. Francis Boys]] at [[Cambridge University]], in 1957.<ref name=jpc>"Isaiah Shavitt", [[Uzi Kaldor]] and [[Russell M. Pitzer]], ''[[Journal of Physical Chemistry]]'', 1996, 100 (15), pp 6017–6022, DOI: 10.1021/jp9634666</ref> He was a professor at the [[Technion - Israel Institute of Technology]] in [[Haifa]], [[Israel]] from 1962 to 1967. In 1967 he moved to a senior research position at [[Battelle Memorial Institute]] in [[Columbus, Ohio|Columbus]], [[Ohio]], [[United States]]. In 1968 he also became a part-time faculty member at the Department of Chemistry at [[Ohio State University]] and moved there full-time in 1981. In 1994 he retired from this position and continued part-time as an Emeritus Professor. He is now an Adjunct Professor, Department of Chemistry, [[University of Illinois at Urbana-Champaign]], USA.<ref name=jpc/>
He was born Isaiah Kruk<ref>http://www.news-gazette.com/obituaries/2012-12-11/isaiah-shavitt.html</ref> on July 29, 1925 in [[Kutno]], [[Second Polish Republic|Poland]] and immigrated to what would become [[Israel]] in 1929. After undergraduate degrees in [[chemistry]] (1950) and [[chemical engineering]] (1951) from the [[Technion]] in [[Haifa]], he started a Ph.D. in experimental physical chemistry, but shortly after traveled to [[Cambridge University]] on a British Council Scholarship and completed his Ph.D. (1957) under the aegis of pioneering [[computational chemistry|computational chemist]] [[S. Francis Boys]].<ref name=jpc>"Isaiah Shavitt", [[Uzi Kaldor]] and [[Russell M. Pitzer]], ''[[Journal of Physical Chemistry]]'', 1996, 100 (15), pp 6017–6022, DOI: 10.1021/jp9634666</ref> Following postdoctoral work with [[Joseph O. Hirschfelder]], a stint as a temporary assistant professor at [[Brandeis University]], and further postdoctoral research with [[Martin Karplus]], he became a professor at [[Technion - Israel Institute of Technology|his alma mater]] in 1962. In 1967 he moved to a senior research position at [[Battelle Memorial Institute]] in [[Columbus, Ohio|Columbus]], [[Ohio]], [[United States]]. In 1968 he also became a part-time faculty member at the Department of Chemistry at [[Ohio State University]] and moved there full-time in 1981. In 1994 he retired from this position and continued part-time as an Emeritus Professor. Until his demise he was also an Adjunct Professor in the Department of Chemistry at the [[University of Illinois at Urbana-Champaign]], USA.<ref name=jpc/>


Shavitt's landmark achievements include being responsible for two of the first applications of the then newly available computer to chemistry, developing the [[Gaussian]] [[transforn method]] for calculating [[multicenter integral]]s of [[Slater-type orbital]]s, and the first proposal of contracted Gaussians as [[basis orbital]]s.
Shavitt's landmark achievements include being responsible for two of the first applications of the then newly available computer to chemistry; developing the Gaussian transform method<ref>I. Shavitt and M. Karplus, J. Chem. Phys. 43, 398 (1965); http://dx.doi.org/10.1063/1.1696757 </ref> for calculating [[multicenter integral]]s of [[Slater-type orbital]]s; coining the concept of contracted [[Gaussian-type orbital]]s; the GUGA (Graphical Unitary Group Approach) to fast [[configuration interaction]] calculations; and major contributions to [[coupled cluster]] theory.


He is one of the authors of the [[COLUMBUS]] [[Ab initio quantum chemistry methods|ab initio]] [[computational chemistry]] programs.
He is one of the founding authors of the [[COLUMBUS]] suite of [[Ab initio quantum chemistry methods|ab initio]] [[computational chemistry]] programs.


An International Conference, entitled "[[Molecular Quantum Mechanics: Methods and Applications]]" was held in memory of [[S. Francis Boys]] and in honor of Isaiah Shavitt in September, 1995 at [[St Catharine's College, Cambridge]].<ref>''[[Journal of Physical Chemistry]]'', 1996, 100 (15)</ref>
An International Conference, entitled Molecular Quantum Mechanics: Methods and Applications" was held in memory of [[S. Francis Boys]] and in honor of Isaiah Shavitt in September, 1995 at [[St Catharine's College, Cambridge]], and the proceedings published as a special issue<ref>Journal of Physical Chemistry, 1996, 100 (15), http://pubs.acs.org/toc/jpchax/100/15</ref> of the [[Journal of Physical Chemistry]].


He was a member of the [[International Academy of Quantum Molecular Science]].
He was a member of the [[International Academy of Quantum Molecular Science]].
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==Publications==
==Publications==
*The Gaussiahn Function (1963)
*The Gaussian Function (1963)
*The MNethod of Configuration Interaction ((1977)
*The Method of Configuration Interaction ((1977)
*The Graphical Unitary Group Approach ((1981)
*The Graphical Unitary Group Approach ((1981)
*Supercomputers and Chemistry (1981)
*Supercomputers and Chemistry (1981)
*The Unitary Group (1983)
*The Unitary Group (1983)
*The Treatment of Electron Correlations (1984)
*The Treatment of Electron Correlations (1984)
*Unitary Group Approach ((1988)
*Unitary Group Approach (1988)
* I. Shavitt and R. J. Bartlett, "Many-Body Methods in Chemistry and Physics" (Cambridge University Press, 2009), ISBN: 978-0521818322 <ref>http://www.amazon.com/Many-Body-Methods-Chemistry-Physics-Coupled-Cluster/dp/052181832X/</ref>


==External links==
==External links==

Revision as of 11:12, 2 April 2013

Isaiah Shavitt was a Polish-born Israeli and American theoretical chemist.

He was born Isaiah Kruk[1] on July 29, 1925 in Kutno, Poland and immigrated to what would become Israel in 1929. After undergraduate degrees in chemistry (1950) and chemical engineering (1951) from the Technion in Haifa, he started a Ph.D. in experimental physical chemistry, but shortly after traveled to Cambridge University on a British Council Scholarship and completed his Ph.D. (1957) under the aegis of pioneering computational chemist S. Francis Boys.[2] Following postdoctoral work with Joseph O. Hirschfelder, a stint as a temporary assistant professor at Brandeis University, and further postdoctoral research with Martin Karplus, he became a professor at his alma mater in 1962. In 1967 he moved to a senior research position at Battelle Memorial Institute in Columbus, Ohio, United States. In 1968 he also became a part-time faculty member at the Department of Chemistry at Ohio State University and moved there full-time in 1981. In 1994 he retired from this position and continued part-time as an Emeritus Professor. Until his demise he was also an Adjunct Professor in the Department of Chemistry at the University of Illinois at Urbana-Champaign, USA.[2]

Shavitt's landmark achievements include being responsible for two of the first applications of the then newly available computer to chemistry; developing the Gaussian transform method[3] for calculating multicenter integrals of Slater-type orbitals; coining the concept of contracted Gaussian-type orbitals; the GUGA (Graphical Unitary Group Approach) to fast configuration interaction calculations; and major contributions to coupled cluster theory.

He is one of the founding authors of the COLUMBUS suite of ab initio computational chemistry programs.

An International Conference, entitled Molecular Quantum Mechanics: Methods and Applications" was held in memory of S. Francis Boys and in honor of Isaiah Shavitt in September, 1995 at St Catharine's College, Cambridge, and the proceedings published as a special issue[4] of the Journal of Physical Chemistry.

He was a member of the International Academy of Quantum Molecular Science.

Shavitt died at the age of 87 on Dec. 8, 2012 at Carle Foundation Hospital, Urbana.[5]

References

  1. ^ http://www.news-gazette.com/obituaries/2012-12-11/isaiah-shavitt.html
  2. ^ a b "Isaiah Shavitt", Uzi Kaldor and Russell M. Pitzer, Journal of Physical Chemistry, 1996, 100 (15), pp 6017–6022, DOI: 10.1021/jp9634666
  3. ^ I. Shavitt and M. Karplus, J. Chem. Phys. 43, 398 (1965); http://dx.doi.org/10.1063/1.1696757
  4. ^ Journal of Physical Chemistry, 1996, 100 (15), http://pubs.acs.org/toc/jpchax/100/15
  5. ^ http://www.news-gazette.com/obituaries/2012-12-11/isaiah-shavitt.html

Publications

  • The Gaussian Function (1963)
  • The Method of Configuration Interaction ((1977)
  • The Graphical Unitary Group Approach ((1981)
  • Supercomputers and Chemistry (1981)
  • The Unitary Group (1983)
  • The Treatment of Electron Correlations (1984)
  • Unitary Group Approach (1988)
  • I. Shavitt and R. J. Bartlett, "Many-Body Methods in Chemistry and Physics" (Cambridge University Press, 2009), ISBN: 978-0521818322 [1]

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  1. ^ http://www.amazon.com/Many-Body-Methods-Chemistry-Physics-Coupled-Cluster/dp/052181832X/
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