Record number :
1056243
Title of article :
The A1Π–X1Σ+ transition in NiC Original Research
Author/Authors :
Antonio Carlos Borin، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2001
Pages :
10
From page :
99
To page :
108
Abstract :
The multireference configuration interaction (MRCI) method, based on complete-active-space self-consistent-field wave functions, has been employed to study the X1Σ+ and A1Π states of NiC. Potential energy curves, dipole moments, and transition dipole moment functions (TDM) have been computed over a wide range of internuclear separations. Based on these results, the Franck–Condon factors and radiative lifetimes for several vibrational levels of the A1Π state were computed.
Keywords :
Nickel carbide , View the MathML source transition dipole moment , View the MathML source excited electronic state and radiative lifetimes , Spectroscopic properties , Multireference configuration interaction
Journal title :
Chemical Physics
Link To Document :