Derivation of force constants based on the electric field gradient

Zhenghe Zhu, Jiangfeng Song, Li Zhang, Deli Luo

China Academy of Engineering Physics, Mainyang, China.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, China.

DOI: 10.4236/ns.2013.512156                

Abstract

The present work devotes to studying the electric properties: electric quadrupole moment and electric field gradient (EFG) of molecules PdH and (PdH)^-2 based on the full relativistic theory. It is the first time to explore that the force constants are essentially caused by electric field gradients, and indirectly with spectroscopic data. If EFG is positive, zero or negative, then the will be positive, zero or negative. Therefore, second order force constants are adjustable to changing the intensity of EFG.

Keywords

Full Relativistic Quantum Mechanical Theory; Electric Quadrupole Moment; Electric Field

Conflicts of Interest

The authors declare no conflicts of interest.

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