Subject: CCL: T. Koopmans --> O. Burrau

From: "Jens Spanget-Larsen" <[email-masked]>
Date: Tue, 19 Mar 2002 17:01:01 +0100

Alexandre Hocquet:

> I guess it it is well known that the Koopmans that won the 1975
> nobel prize in economics is also the same person that is quoted in
> our famous Koopmans "theorem".
> 
> I was surprised the other day to learn that his past in theoretical
> chemistry is unknowned to the economists. ....

Dear Alexandre,

your story reminds me of another, albeit less famous one, namely that 
of Oeyvind Burrau. He was born in Copenhagen, Denmark, in 1896 and was 
educated as a practical mathematician in the life insurance field, 
but in 1926-1927 he was associated with Niels Bohr's Institute of 
Theoretical Physics in Copenhagen. In 1926 he performed what would 
seem to be the first ab initio quantum mechanical calculation of a 
molecular species with a covalent bond: By numerical integration in 
spheroidical coordinates, he solved the Schroedinger equation for the 
hydrogen molecule cation (within the approximation later to be 
associated with the names of Born and Oppenheimer):

Oe. Burrau: "Berechnung des Energiewertes des Wasserstoff Molekel-Ions 
(H2+) im Normalzustand", Die Naturwissenschaften, 16-17 (1927).
["Zuschrift", submitted 22. November 1926]

Oe. Burrau: "Berechnung des Energiewertes des Wasserstoff Molekel-Ions
(H2+) im Normalzustand", Det Kgl. Danske Videnskabernes Selskab, 
Mathematisk-fysiske Meddelelser VII,14 (1927).

The latter, full paper shows potential energy curves and plots of the 
electron density distribution. However, Burrau did not continue in 
this field, but switched to that of geodesy where he had a brillant 
career, leading to the post of "State Geodesian of Denmark" during 
1952-63. - In the Danish "Who's Who" (Kraks Blaa Bog 1973), Burrau's 
brief association with Bohr's Institute and his contribution to the 
birth of computational quantum chemistry and is not mentioned at all.

Yours, Jens >--<

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