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Hylleraas-Configuration Interaction calculations on the 1 ^1S ground state of helium atom

Published 31 Jul 2012 in physics.atom-ph | (1207.7284v3)

Abstract: Hylleraas-Configuration Interaction (Hy-CI) calculations on the ground $11$S state of helium atom are presented using s-, p-, d-, and f-Slater orbitals of both real and complex form. Techniques of construction of adapted configurations, optimization of the orbital exponents and structure of the wave function expansion are explored. A new method to evaluate the two-electron kinetic energy integrals occurring in the Hy-CI method has been tested here and compared with other methods. The non-relativistic Hy-CI values are approximately 10 picohartree accurate, about 2.2 x 10${-6}$ cm${-1}$. The Hy-CI calculations are compared with Configuration Interaction (CI) and Hylleraas (Hy) calculations employing the same orbital basis set, same computer code and same computer machines. The computational required times are reported.

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