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On the behavior of the low-lying 2Σ+ electronic states of NO

✍ Scribed by R Polák; J Fišer

Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
321 KB
Volume
377
Category
Article
ISSN
0009-2614

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✦ Synopsis

The electric-field gradients at both nuclei and the electric-dipole moments for low-lying 2 R þ states of NO are calculated using the internally contracted multireference configuration interaction method. The changes in character of the wavefunctions with internuclear separation R are used to interpret the intricate pattern of the R-dependences of the physical quantities. The estimated magnitudes of the 14 N nuclear quadrupole coupling constant and the electric-dipole moment at the N ¼ 0 and v ¼ 3 rovibrational level of the A 2 R þ electronic state, 6.615 MHz and 0.950 D, respectively, are in good agreement with experimental data.

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