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Cencek Wojciech

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The Born-Oppenheimer (BO) potential energy curve, the adiabatic and the relativistic corrections for the EF state of the hydrogen molecule are calculated for the internuclear distances ranging from 0.01 to 20 bohr. 600-term variational expansions of exponentially correlated Gaussian (ECG) functions are used. The BO energies and the adiabatic corrections are more accurate than previously reported and the relativistic calculations confirm existing literature values.

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oai:lib.psnc.pl:553

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Last modified:

Jul 30, 2014

In our library since:

May 23, 2014

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16 324

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https://lib.psnc.pl/publication/652

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Volume 9(1) 2003

Edition name	Date
Exponentially Correlated Gaussian Functions in Variational Calculations. The Ef 1∑+g State of Hydrogen Molecule	Jul 30, 2014

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Komasa Jacek Cencek Wojciech, Rychlewski Jacek

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