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Atomic and Molecular Calculations of Physical and Chemical Properties

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Experiment and theory in computations of the he atom ground state

 CHARLES SCHWARTZ

 Departmentof Physics,University of California,Berkeley,California 94720,USA 

 schwartz@physics.berkeley.edu

 

 Received 28 March 2006

 

 Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom.Several different sets of basis functions were systematically  explored, startin gwith the original scheme of Hylleraas. The most rapid convergence is found with a combination of negative powers and a logarithm of the coordinates=13 r1+r2. At N= 3091terms we pass the previous best calculation (Korobov's25 decimal accuracy with N= 5200 terms) and we stop at N= 10257 with E

 

https://escholarship.org/content/qt46d4622z/qt46d4622z.pdf 

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