Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. II Fixed‐Core Approximation

1971 ◽  
Vol 54 (7) ◽  
pp. 3051-3053 ◽  
Author(s):  
Sheldon Green
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Configuration Interaction ◽  
Electric Dipole ◽  
Diatomic Molecules ◽  
Core Approximation

scholarly journals A data-driven approach to determine dipole moments of diatomic molecules

2020 ◽  
Vol 22 (42) ◽  
pp. 24191-24200
Author(s):  
Xiangyue Liu ◽  
Gerard Meijer ◽  
Jesús Pérez-Ríos
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Diatomic Molecules ◽  
Dipole Moments ◽  
Molecular Properties ◽  
Data Driven ◽  
Data Driven Approach

We present a data-driven approach for the prediction of the electric dipole moment of diatomic molecules, which is one of the most relevant molecular properties.

scholarly journals Study of HgOH to Assess Its Suitability for Electron Electric Dipole Moment Searches

Atoms ◽  
2021 ◽  
Vol 9 (1) ◽  
pp. 7
Author(s):  
Ramanuj Mitra ◽  
V. Srinivasa Prasannaa ◽  
Bijaya K. Sahoo ◽  
Nicholas R. Hutzler ◽  
Minori Abe ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Ground State ◽  
Time Reversal ◽  
Diatomic Molecules ◽  
Natural Extensions ◽  
Electron Electric Dipole Moment ◽  
Mercury Halides ◽  
Theoretical Results

In search of suitable molecular candidates for probing the electric dipole moment (EDM) of the electron (de), a property that arises due to parity and time-reversal violating (P,T-odd) interactions, we consider the triatomic mercury hydroxide (HgOH) molecule. The impetus for this proposal is based on previous works on two systems: the recently proposed ytterbium hydroxide (YbOH) experiment that demonstrates the advantages of polyatomics for such EDM searches, and the finding that mercury halides provide the highest enhancement due to de compared to other diatomic molecules. We identify the ground state of HgOH as being in a bent geometry, and show that its intrinsic EDM sensitivity is comparable to the corresponding value for YbOH. Along with the theoretical results, we discuss plausible experimental schemes for an EDM measurement in HgOH. Furthermore, we provide pilot calculations of the EDM sensitivity for de for HgCH3 and HgCF3, that are natural extensions of HgOH.

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