A theoretical investigation of the low-lying electronic states of the molecule BeH

A theoretical study at the multireference singles and doubles configuration-interaction level is reported for the six lowest electronic states of BeH+. Of the four new states described, the 1Π and 3Π are bound states supporting at least 8 and 12 vibrational levels, respectively. Two 3Σ+ states are r...

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Veröffentlicht in:	The Journal of chemical physics 1991-06, Vol.94 (11), p.7237-7244
Hauptverfasser:	MACHADO, F. B. C, ORNELLAS, F. R
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Electron correlation calculations for atoms and molecules Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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