Interatomic potentials for ground and excited states of Ar+He

The potential energy curves (PECs) of the ground and excited states that correlate in the atomic limit with Ar([Ne]3s23p6,1S), Ar([Ne]3s23p54s1, 3P, 1P), and Ar([Ne]3s23p54p1, 3D, 3P, 3S, 1D, 1P, 1S) are calculated at the multireference configuration interaction (MRCI+Q) theoretical level with extra...

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Veröffentlicht in:	The Journal of chemical physics 2018-11, Vol.149 (19), p.194302-194302
Hauptverfasser:	Sharma, Amit R., Weeks, David E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Computation Configuration interaction Correlation Eigenvectors Mathematical analysis Orbitals Physics Potential energy Relativism Relativistic effects
Online-Zugang:	Volltext
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