Permanent Electric Dipole Moments of Alkaline Earth Monofluorides: Interplay of Relativistic and Correlation Effects
arXiv:1510.01979 · doi:10.1103/PhysRevA.93.042504
Abstract
The interplay of the relativistic and correlation effects in the permanent electric dipole moments (PDMs) of the X2Σ+ (ν = 0) electronic ground states of the alkaline earth monoflourides (BeF, MgF, CaF, SrF and BaF) has been studied using a relativistic coupled cluster method (RCCM). The calculations were carried out using double, triple and quadruple zeta basis sets, and with no core orbitals frozen. The results are compared with those of other calculations available in the literature and with experiments. The correlation trends in the PDMs of these molecules are discussed in detail.
References in corpus (6)
- Using Molecules to Measure Nuclear Spin-Dependent Parity Violation
- Intrinsic Electric Dipole Moments of Paramagnetic Atoms: Rubidium and Cesium
- Application of a Relativistic Coupled-Cluster Theory to the Effective Electric Field in YbF
- Mercury Monohalides: Suitability for Electron Electric Dipole Moment Searches
- Implementation of Z-vector method in the relativistic coupled cluster framework to calculate first order energy derivatives: Application to SrF molecule
- Permanent Electric Dipole Moment of Strontium Monofluoride as a Test of the Accuracy of a Relativistic Coupled Cluster Method
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- Ab initio calculations of permanent dipole moments and dipole polarizabilities of alkaline-earth monofluorides
- Theoretical analysis of effective electric fields in mercury monohalides
- Relativistic calculations of molecular electric dipole moments of singly charged aluminium monohalides