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Agricola The survey of this website

How to find something

Contents

 

 

Amazon
x5  Quantum Theory Founders
x5  QC Theoreticians
x5  More QC Theoreticians
x5  Early (Heavy) Users


Please note:
Some texts are presently still in German,
but - more ...
x5  Some QC and Similar Links
x5  QC people, alphabetically
       of this website and elsewhere








Quantum Theory Founders



Bohr, Niels H. D.

1885-1962

Links to the Nobel e-Museum biography

30 KByte

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Model of the electrons around an atom.

Dirac, Paul Adrian Maurice

1902-1984

Links to the Nobel e-Museum biography

40 KByte

Links to another extended Dirac biography.

1st generation, eminent
pure theoretician:
".. we now
can calculate
all of chemistry .."
new!

Fourier, Jean-Joseph

1768-1830

Biography, in German

50 KByte

--

Fourier Method - sin, cos and all that.
Hamilton, Sir William Rowland 1805-1865

Links to a good biography

100 KByte

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"Hamiltonian" (operator).

Heisenberg, Werner Karl

1901-1986

Links to the Nobel e-Museum biography

30 KByte

Listen to the voice of Heisenberg in 1967.

An exhibition on Heisenberg by the American Institute of Physics.
th generation, FOUNDER.

Pauli, Wolfgang

1900-1958

Links to the Nobel e-Museum biography.

30 KByte

A different sort of biography.

Spin.

Schroedinger, Erwin

1887-1961

Links to the Nobel e-Museum biography

30 KByte

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0th generation,
FOUNDER.

new! Sommerfeld, Arnold

1868-1951

with a link to a good autobiography

30 KByte

--

0th generation,
early analysis of spectral lines


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QC  Theoreticians


name + link

lifetime

materials

approx. size

add'l links

comments

Ballhausen, Carl J.

1926-

-

50 KByte

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2nd generation, applications. Ligand Field Theory.

Berthier, Gaston

1923-

Interview

30 KByte

--

2nd generation, applications.

Coulson, Charles A.

1910-1974

Biography by R. McWeeny.

80 KByte

  1st generation,

Mathematician, QC theory.
Huckel appl's.

Craig, David Parker

1919-

--

20 KByte

- -

2nd generation.

Daudel, Raymond

1920-

Interview

50 KByte

No longer on the net, from my archives, links to a short biography. 1st generation, very influential.
spreading QC.
Del Re, Giuseppe 1932-

Interview

60 KByte

--

2nd generation, father
of the semiemp.
Del-Re-method.
Dewar, Michael J. S. 1918-1997

Links to a good biography.

30 KByte

For further insights into Dewar, read his fascinating autobiography:
M.J.S. Dewar, A Semiempirical Life. Amer. Chem. Soc., Washington, DC, 1992.

2nd generation,
father of
MINDO, AM.
Fischer - Hjalmars, Inga 1918-

Interview

110 KByte

--

1st + 2nd generation, famous theor. Huckel paper, later appl. to peptides and metals.
Fock, Vladimir A. 1898-1974

--

30 KByte

--

1st generation, Hartree-Fock method!!
Fraga, Serafin 1931-

Fraga's Faculty page at Univ. of Alberta, Canada

90 KByte

--

2nd generation. Early work in SCF theory, atomic data. Always interested in biochem. structures.
Freed, Karl 1942-

Freed's Faculty page at Univ. of Chicago.

300 KByte

--

3rd generation. Constant interest in basic theory and methods on the electronic structure of molecules.
Hall, George G. updated

1925-

--

70 KByte

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2nd generation, Mathematician. Important work in early semiempirical theory. Described (independently of Roothaan) the foundations of the SCF LCAO-MO theory.
Hartree, Douglas Rayner 1897-1958

- -

30 KByte

At times the St. Andrews server seems to be off-net. In this case try here. 1th generation, Hartree-Fock method!!
Hoffmann, Roald 1937-

Links to the Nobel e-Museum autobiography

40 KByte

Hoffmann's Faculty page at Cornell Univ. 3nd generation,
father of the
EHT - method.
Hückel (Huckel), Erich 1896-1980

--

30 KByte

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1st generation, Hückel Theory
FOUNDING FATHER.
Hund, Friedrich (1)
Hund, Friedrich (2)
1896-1997 Links presently to 2 available yet very brief biographies (more to come).

20 KByte

--

1st generation
Worked on MO in parallel to Mulliken.
Jug, Karl 1939-

Interview and Video Clip yet to come

350 KByte

--

3rd generation,
father of
SINDO.
Julg, André 1926-

Writes his own story and an Interview

32 KByte

--

2nd generation, father
of the
LCAO-ameliorée method.
Kotani, Masao 1906-1993

--

60 KByte

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1st generation, Integral Tables! Father of the Japanese Efforts in Quantum Chemistry.
Kuhn, Hans updated 1919-

Autobiography

60 KByte

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2nd generation, free electron gas model.
Kutzelnigg, Werner 1933-

Interview

120 KByte

Kutzelnigg's Faculty page at the Univ. Bochum, Germany. 3rd generation, more theoretical.
Lennard-Jones, Sir John Edward 1894 - 1954

--

90 KByte

--

0th generation, Introducing quantum chemistry in the UK.
FOUNDING FATHER.
Longuet-Higgins, Christopher 1923-

2 short biographies

5 KByte

--

1st + 2nd generation, changed
with 40 to
exp'l psychology.
Lowdin, Per-Olov 1916-2000

Interview and Video Clip yet to come

50 KByte

Univ. of Florida Quantum Theory Project. 1st + 2nd generation, trained
3000 quantum
chemists.
Matsen, Frederick A. 1913-

- -

60 KByte

--

2nd generation,
group theory
spin-free QC.
McWeeny, Roy 1924-

Interview

30 KByte

--

2nd generation, mainly
theor. work.
Mulliken, Robert Sanderson 1896-1986

Links to the Nobel e-Museum biography

30 KByte

--

1st generation,
Molecular Orbital
FOUNDING FATHER.
Murrell, John N. 1932-

Interview

120 KByte

- -

3rd generation,
extremely successful introductory QC book in the 70s.
Ohno, Kimio 1926-

--

100 KByte

--

2nd generation of Japanese quantum chemists.
Studied under Kotani, worked with Itoh, Nakamura, Tanabe, Yoshimine and others.
Pariser, Rudolph 1923-

--

50 KByte

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2nd generation,
PPP co-founder. Also industrial chemist at Dupont de Nemours.
Parr, Robert G. 1921-

Interview

120 KByte

Parr's Faculty page 1st + 2nd generation,
PPP co-founder,
much later DFT.
Pauling, Linus Carl 1901-1994

Links to the Nobel e-Museum biography

30 KByte

Nat.Acad.Scie. on Pauling

1st generation,
Valence Bond
FOUNDING FATHER.
Pople, John A. 1925- Pople's autobiography at the Nobel Foundation

120 KByte

Pople's Faculty page at Northwestern.

1st + 2nd generation,
PPP co-founder,
INDO, CINDO, GAUSSIANS, DFT.
Pullman, Alberte and Bernard 1920-

Interview

100 KByte

--

1st generation,
very wide influence,
espec'y in France.
Roothaan, C.C.J. 1916?-

- -

150 KByte

--

1st generation,
THE paper on LCAO-MO theory in 1951.
Rüdenberg, Klaus 1920-

Rüdenberg's Faculty page.

180 KByte

--

2ndStrongly present in the early literature, say 1960-75. Mathem. rigor and comput. honesty for some, "too much calculating" for those days, others claim.
Salem, Lionel 1937-

Interview

30 KByte

--

2nd generation,
QC-prof.,
later banking,
finally Popularization
of Knowledge, Prof.
Sandorfy, Camille 1920-

- -

50 KByte

- -

2nd generation.
Interesting his book in 1959 : Les spectres électroniques en chimie théorique. Translated into many languages.
Segal, Gerald A. 1934-

Segal's Faculty page at USC

200 KByte

- -

2nd generation. Fathered with Pople and Santry the famous CNDO-method.
Slater, John Clarke 1900-1976

A broader and liberal biography of J.C. Slater by the American Philosophical Society.

40 KByte

Another nicely done biography is (was) the one from Augustana College, USA, which you may get here. If this link seems not to be available (any longer?) you may try my archive here , some links then, however, being off-net. 1st generation, wide influence. Important: Slater screening constant, the Xalpha-method.
Tietz, Horst 1921-

Interview

120 KByte

--

Assistant to Erich Huckel
1948-1951.
Van Vleck, J.H.
1899-1980
Van Vleck's autobiography at the Nobel Foundation.

60KByte

 

1st generation,
developed Crystal Field Theory, magnetic theory of metal ions.
Famous: The Theory of Electric and Magnetic Susceptibilities.
Zerner, Michael C. 1940-2000

Links to Zerner's biography

20 KByte

--

2nd generation,
ZINDO.


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More   QC  Theoreticians



Dahl, Jens Peder
1934-
 

30 KByte

  Dahl was Ballhausen's first Ph.D. student working in the area of complexed transition metal ions.
He later continued this work on his own and still later he
entered into phase space and connected theories.
Goeppert-Mayer, Maria
1906-1972

Links to the Nobel e-Museum biography

30 KByte

M. Goeppert-Mayer and A.L. Sklar : Calculations of the lower excited levels of benzene. J. Chem. Phys., 19 , 799-800 (1951). Just think of the (in)-famous paper (some 20 mistakes!) in semiempirical quantum chemistry of Goeppert-Mayer and Sklar in the 1950ies. PS : Due to R.G. Parr (see the interview) her student Sklar didn't give a damn about it:{"Oh, sorry". And period.}.
Karfunkel, H. R.
1938-

Interview with an "industrial" quantum chemist at Novartis

60 KByte

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3rd generation.
Koopmans, Tjalling C.
1910-1986

Links to the Nobel e-Museum biography.

Reading hint: Find a new paragraph which starts with: Instead, in 1930 ...

50 KByte

Biography from the Nat. Acad. Sciences, USA.

The Prize (not Nobel, similar) was in Economics!!
Yet think of: "Koopmans' theorem!"
Moffitt, William
1925-1958

Obituary

15 KByte

--

Early participant in Longuet-Higgins' group.
Sinanoglu, Oktay updated
1935-

Including a vast amount of materials, pictures.

100 KByte

-- 3 rd generation. When Sinanoglu became full prof. at Yale University he was 28 years old; he was one of the 4 youngest profs Yale has had in over 200 years. His books in 1965 and 1970 were well-received information at that time.
new! Sponer, Hertha
1895 - 1968
 

80 KByte

  Hertha Sponer, a physicist, was one of the first women who worked in the field of spectra and applied quantum mechanics.


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Early  (Heavy)  Users



Cotton, F.Albert
1930-

--

150 KByte

- - Inorganic chemist who wrote THE book on group theory ALL chemists had to go through in the 60ies, 70ies and 80ies : F.A. Cotton : Chemical Applications of Group Theory. Interscience Publishers, New York, 1963.
Gray, Harry B.
1935-

Gray's Faculty page at Caltech.

50 KByte

- - Inorganic chemist who, together with Ballhausen, tried many 'firsts' in inorganic chemistry MO calculations.
Jaffé, Hans H.
1919-1989

 

50 KByte

- - Physical organic chemist, with a great interest in theretical applications who, together with M. Orchin, wrote another very famous and popular book on the application of quantum theory in chemistry: Symmetry, Orbitals and Spectra By all students of, say, 1970-2000 known as SOS - liked and feared depending on the ability of the lecturer concerned.
Orchin, Milton
1914-

Orchin's Faculty page at the Univ. of Cincinnati, USA.

50 KByte

- - Organic chemist who, together with H.H. Jaffe, wrote another very famous and popular book on the application of quantum theory in chemistry: Symmetry, Orbitals and Spectra By all students of, say, 1970-2000 known as SOS - liked and feared depending on the ability of the lecturer concerned.
Orgel, Leslie E.
1927-

Orgel's Faculty page. at the Salk Institute.

250 KByte

- - Inorganic and theoretical chemist by first training, wrote one of the most-read and used books on ligand field theory of the 60's.
Roberts, John D.
1918-
Roberts'

Faculty page at Caltech.

300 KByte

Some sketchy biographical data.
Organic chemist, wrote a beautifully simple and highly successful little book (16 printings, translated into German, Japanese and Russian)about Huckel theory for organic chemists in the feeling of those times - 1961!
Streitwieser, Andrew
1925-

Streitwieser's Berkeley Faculty page.

200 KByte

- - Organic chemist, wrote THE book on the application of Huckel theory in organic chemistry. It contains a fairly complete survey of the application of Huckel theory, about 600 references.
Wheland, George W.
1907-1976?

- -

50 KByte

- -

Organic chemist, wrote, among others, two books on resonance theory. In 1949 he proposed the introduction of a parameter ('omega-technique') to better adapt Huckel theory to charges and which appeared quite promising at the time, since it also reduced the (manual) calculating effort. Occasionally still used in teaching Huckel.


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Links to some intereresting
Theorical and Quantum Chemistry pages.


Theoretical Chemistry, ETH Zuerich, Switzerland. " Theoretical Chemistry im www für Studierende und Interessierte."

Fairly extensive.
Yet- march 1, 2002 it didn't work!

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Theoretical Chemistry, University of Stuttgart, Germany. Links to Theoretical Chemistry: Journals, Societies, Software.

Alphabetical link-listings of Theochem. Depts. worldwide.

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National Academy of Sciences, USA Links to the NAS homepage.

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http://www.nap.edu/ readingroom/books/ biomems/
An extensive listing of biographical data,
not only from chemistry and physics.

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Royal Society [London] Links to the Royal Society [London] homepage.

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An extensive listing of biographical data, not only from chemistry and physics.

- -
TH Physik, Uni-Frankfurt, Germany "A Picture Gallery of Famous Physicists."

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International Academy of Quantum Molecular Science The IAQMS was created in Menton (close to Nizza, France) in 1967 by Daudel, Löwdin, Parr, Pople and B. Pullman ... Most, but not all, biographical entries of these members are public. Sometimes this server appears to be unreachable.

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American Institute of Physics.
Web Sites for the History of Science.
Presently (Feb. 2002) good exhibit on Heisenberg. Don't miss it! Very recommendable, good contents, good design.

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Use a Russian search machine for Search machine matched to this site here by Dr. Nikolai N. Kostyukovich of the The National Academy of Sciences of Belarus. Just look around a bit - thinking 'global' and all that ...

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Copyright © Jan. 22, 2002 by U. Anders, Ph.D.
e-mail Udo Anders : udo39@t-online.de

Last updated : Jan. 11, 2003 - 18:00 CET
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